USER MOD reduce.3.24.130724 H: found=0, std=0, add=751, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 751 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 117 GLN : amide:sc= -1.2! C(o=-0.02!,f=-3.5!) USER MOD Set 1.2: A 121 HIS : no HE2:sc= 1.18 K(o=-0.02,f=-9.5!) USER MOD Set 2.1: A 114 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 MET CE :methyl -170:sc= 0 (180deg=-0.121) USER MOD Single : A 13 GLN : amide:sc= -1.07 K(o=-1.1,f=-2.5!) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 LYS NZ :NH3+ -123:sc= -0.756 (180deg=-2.95!) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -0.0559 K(o=-0.056,f=-1.8!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -0.418 K(o=-0.42,f=-1.2) USER MOD Single : A 43 CYS SG : rot -67:sc= -4.04! USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot -67:sc= 0.202 USER MOD Single : A 50 CYS SG : rot 180:sc= -0.669 USER MOD Single : A 52 GLN : amide:sc= -5.33! C(o=-5.3!,f=-5.2!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot -131:sc= -3.49! USER MOD Single : A 60 ASN : amide:sc= -1.46 X(o=-1.5,f=-1.3) USER MOD Single : A 64 ASN : amide:sc= -2.13 K(o=-2.1,f=-3) USER MOD Single : A 69 ASN : amide:sc= -0.233 X(o=-0.23,f=-0.22) USER MOD Single : A 71 SER OG : rot -134:sc= 0.362 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.249) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ -173:sc=0.000156 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 MET CE :methyl -107:sc= -0.756 (180deg=-1.54) USER MOD Single : A 122 GLN : amide:sc= 0.183 K(o=0.18,f=-1) USER MOD ----------------------------------------------------------------- ATOM 172 N MET A 11 -4.596 3.370 8.195 1.00 0.00 N ATOM 173 CA MET A 11 -3.296 2.753 7.995 1.00 0.00 C ATOM 174 C MET A 11 -3.267 1.336 8.570 1.00 0.00 C ATOM 175 O MET A 11 -3.208 0.360 7.823 1.00 0.00 O ATOM 176 CB MET A 11 -2.218 3.602 8.674 1.00 0.00 C ATOM 177 CG MET A 11 -2.043 4.942 7.957 1.00 0.00 C ATOM 178 SD MET A 11 -3.266 6.107 8.532 1.00 0.00 S ATOM 179 CE MET A 11 -2.201 7.432 9.076 1.00 0.00 C ATOM 0 HA MET A 11 -3.104 2.694 6.924 1.00 0.00 H new ATOM 0 HB2 MET A 11 -2.489 3.775 9.715 1.00 0.00 H new ATOM 0 HB3 MET A 11 -1.272 3.061 8.677 1.00 0.00 H new ATOM 0 HG2 MET A 11 -1.042 5.333 8.139 1.00 0.00 H new ATOM 0 HG3 MET A 11 -2.139 4.803 6.880 1.00 0.00 H new ATOM 0 HE1 MET A 11 -2.788 8.168 9.626 1.00 0.00 H new ATOM 0 HE2 MET A 11 -1.422 7.030 9.724 1.00 0.00 H new ATOM 0 HE3 MET A 11 -1.742 7.909 8.210 1.00 0.00 H new ATOM 189 N ARG A 12 -3.310 1.267 9.893 1.00 0.00 N ATOM 190 CA ARG A 12 -3.290 -0.015 10.577 1.00 0.00 C ATOM 191 C ARG A 12 -4.109 -1.045 9.797 1.00 0.00 C ATOM 192 O ARG A 12 -3.707 -2.201 9.676 1.00 0.00 O ATOM 193 CB ARG A 12 -3.853 0.108 11.994 1.00 0.00 C ATOM 194 CG ARG A 12 -2.737 0.018 13.037 1.00 0.00 C ATOM 195 CD ARG A 12 -2.104 1.389 13.282 1.00 0.00 C ATOM 196 NE ARG A 12 -1.653 1.494 14.687 1.00 0.00 N ATOM 197 CZ ARG A 12 -0.503 0.984 15.148 1.00 0.00 C ATOM 198 NH1 ARG A 12 0.319 0.329 14.317 1.00 0.00 N ATOM 199 NH2 ARG A 12 -0.175 1.127 16.439 1.00 0.00 N ATOM 0 H ARG A 12 -3.359 2.078 10.509 1.00 0.00 H new ATOM 0 HA ARG A 12 -2.252 -0.342 10.638 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -4.378 1.057 12.099 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -4.584 -0.682 12.169 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -3.139 -0.373 13.972 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -1.974 -0.684 12.699 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -1.259 1.534 12.608 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -2.825 2.176 13.063 1.00 0.00 H new ATOM 0 HE ARG A 12 -2.256 1.986 15.347 1.00 0.00 H new ATOM 0 HH11 ARG A 12 0.069 0.219 13.334 1.00 0.00 H new ATOM 0 HH12 ARG A 12 1.195 -0.060 14.667 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -0.801 1.625 17.072 1.00 0.00 H new ATOM 0 HH22 ARG A 12 0.701 0.738 16.789 1.00 0.00 H new ATOM 213 N GLN A 13 -5.244 -0.589 9.288 1.00 0.00 N ATOM 214 CA GLN A 13 -6.124 -1.457 8.524 1.00 0.00 C ATOM 215 C GLN A 13 -5.390 -2.014 7.302 1.00 0.00 C ATOM 216 O GLN A 13 -5.417 -3.218 7.053 1.00 0.00 O ATOM 217 CB GLN A 13 -7.397 -0.718 8.108 1.00 0.00 C ATOM 218 CG GLN A 13 -8.283 -0.426 9.321 1.00 0.00 C ATOM 219 CD GLN A 13 -8.779 -1.724 9.962 1.00 0.00 C ATOM 220 OE1 GLN A 13 -8.049 -2.433 10.635 1.00 0.00 O ATOM 221 NE2 GLN A 13 -10.059 -1.993 9.717 1.00 0.00 N ATOM 0 H GLN A 13 -5.575 0.371 9.390 1.00 0.00 H new ATOM 0 HA GLN A 13 -6.419 -2.292 9.159 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -7.134 0.216 7.612 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -7.950 -1.318 7.385 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -7.723 0.155 10.054 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -9.135 0.182 9.016 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -10.614 -1.356 9.145 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -10.486 -2.836 10.101 1.00 0.00 H new ATOM 230 N LEU A 14 -4.751 -1.111 6.573 1.00 0.00 N ATOM 231 CA LEU A 14 -4.011 -1.497 5.384 1.00 0.00 C ATOM 232 C LEU A 14 -2.967 -2.551 5.758 1.00 0.00 C ATOM 233 O LEU A 14 -2.901 -3.612 5.138 1.00 0.00 O ATOM 234 CB LEU A 14 -3.421 -0.264 4.696 1.00 0.00 C ATOM 235 CG LEU A 14 -4.218 0.291 3.514 1.00 0.00 C ATOM 236 CD1 LEU A 14 -5.552 0.877 3.980 1.00 0.00 C ATOM 237 CD2 LEU A 14 -3.391 1.306 2.723 1.00 0.00 C ATOM 0 H LEU A 14 -4.730 -0.113 6.783 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.677 -1.953 4.652 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.314 0.526 5.439 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.418 -0.512 4.348 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.447 -0.533 2.839 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -6.099 1.265 3.121 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -6.142 0.099 4.465 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -5.367 1.686 4.687 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.981 1.685 1.889 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.111 2.134 3.375 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -2.491 0.824 2.342 1.00 0.00 H new ATOM 249 N ILE A 15 -2.177 -2.223 6.770 1.00 0.00 N ATOM 250 CA ILE A 15 -1.140 -3.128 7.234 1.00 0.00 C ATOM 251 C ILE A 15 -1.786 -4.412 7.757 1.00 0.00 C ATOM 252 O ILE A 15 -1.143 -5.460 7.805 1.00 0.00 O ATOM 253 CB ILE A 15 -0.239 -2.432 8.256 1.00 0.00 C ATOM 254 CG1 ILE A 15 0.480 -1.236 7.629 1.00 0.00 C ATOM 255 CG2 ILE A 15 0.740 -3.423 8.889 1.00 0.00 C ATOM 256 CD1 ILE A 15 -0.029 0.081 8.218 1.00 0.00 C ATOM 0 H ILE A 15 -2.235 -1.342 7.282 1.00 0.00 H new ATOM 0 HA ILE A 15 -0.486 -3.413 6.410 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.868 -2.045 9.058 1.00 0.00 H new ATOM 0 HG12 ILE A 15 1.553 -1.323 7.798 1.00 0.00 H new ATOM 0 HG13 ILE A 15 0.326 -1.239 6.550 1.00 0.00 H new ATOM 0 HG21 ILE A 15 1.369 -2.902 9.611 1.00 0.00 H new ATOM 0 HG22 ILE A 15 0.183 -4.212 9.395 1.00 0.00 H new ATOM 0 HG23 ILE A 15 1.367 -3.862 8.113 1.00 0.00 H new ATOM 0 HD11 ILE A 15 0.499 0.915 7.755 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.098 0.176 8.026 1.00 0.00 H new ATOM 0 HD13 ILE A 15 0.149 0.091 9.293 1.00 0.00 H new ATOM 268 N ASP A 16 -3.050 -4.289 8.135 1.00 0.00 N ATOM 269 CA ASP A 16 -3.790 -5.427 8.653 1.00 0.00 C ATOM 270 C ASP A 16 -4.109 -6.387 7.505 1.00 0.00 C ATOM 271 O ASP A 16 -3.627 -7.518 7.485 1.00 0.00 O ATOM 272 CB ASP A 16 -5.114 -4.984 9.280 1.00 0.00 C ATOM 273 CG ASP A 16 -5.462 -5.667 10.604 1.00 0.00 C ATOM 274 OD1 ASP A 16 -4.508 -5.983 11.348 1.00 0.00 O ATOM 275 OD2 ASP A 16 -6.674 -5.857 10.843 1.00 0.00 O ATOM 0 H ASP A 16 -3.580 -3.419 8.093 1.00 0.00 H new ATOM 0 HA ASP A 16 -3.176 -5.912 9.412 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -5.080 -3.907 9.442 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -5.917 -5.174 8.568 1.00 0.00 H new ATOM 280 N ILE A 17 -4.921 -5.901 6.577 1.00 0.00 N ATOM 281 CA ILE A 17 -5.310 -6.702 5.429 1.00 0.00 C ATOM 282 C ILE A 17 -4.054 -7.203 4.713 1.00 0.00 C ATOM 283 O ILE A 17 -4.061 -8.280 4.120 1.00 0.00 O ATOM 284 CB ILE A 17 -6.261 -5.916 4.525 1.00 0.00 C ATOM 285 CG1 ILE A 17 -5.843 -4.446 4.435 1.00 0.00 C ATOM 286 CG2 ILE A 17 -7.711 -6.072 4.987 1.00 0.00 C ATOM 287 CD1 ILE A 17 -5.834 -3.967 2.982 1.00 0.00 C ATOM 0 H ILE A 17 -5.320 -4.962 6.597 1.00 0.00 H new ATOM 0 HA ILE A 17 -5.867 -7.582 5.750 1.00 0.00 H new ATOM 0 HB ILE A 17 -6.197 -6.331 3.519 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -6.529 -3.833 5.020 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -4.852 -4.319 4.870 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -8.366 -5.503 4.327 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -7.991 -7.125 4.957 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -7.810 -5.699 6.006 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -5.534 -2.920 2.946 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -5.129 -4.567 2.406 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -6.832 -4.073 2.558 1.00 0.00 H new ATOM 299 N VAL A 18 -3.005 -6.397 4.791 1.00 0.00 N ATOM 300 CA VAL A 18 -1.745 -6.744 4.158 1.00 0.00 C ATOM 301 C VAL A 18 -1.192 -8.019 4.799 1.00 0.00 C ATOM 302 O VAL A 18 -1.142 -9.068 4.159 1.00 0.00 O ATOM 303 CB VAL A 18 -0.774 -5.564 4.241 1.00 0.00 C ATOM 304 CG1 VAL A 18 0.643 -5.992 3.853 1.00 0.00 C ATOM 305 CG2 VAL A 18 -1.253 -4.399 3.372 1.00 0.00 C ATOM 0 H VAL A 18 -3.003 -5.504 5.284 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.894 -6.950 3.098 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.749 -5.222 5.276 1.00 0.00 H new ATOM 0 HG11 VAL A 18 1.313 -5.135 3.920 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.985 -6.774 4.530 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.641 -6.372 2.831 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.546 -3.573 3.448 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.321 -4.724 2.334 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.234 -4.069 3.714 1.00 0.00 H new ATOM 315 N ASP A 19 -0.790 -7.886 6.054 1.00 0.00 N ATOM 316 CA ASP A 19 -0.243 -9.014 6.789 1.00 0.00 C ATOM 317 C ASP A 19 -1.261 -10.156 6.795 1.00 0.00 C ATOM 318 O ASP A 19 -0.888 -11.325 6.717 1.00 0.00 O ATOM 319 CB ASP A 19 0.051 -8.635 8.241 1.00 0.00 C ATOM 320 CG ASP A 19 0.284 -9.818 9.184 1.00 0.00 C ATOM 321 OD1 ASP A 19 -0.731 -10.399 9.626 1.00 0.00 O ATOM 322 OD2 ASP A 19 1.470 -10.114 9.441 1.00 0.00 O ATOM 0 H ASP A 19 -0.832 -7.014 6.581 1.00 0.00 H new ATOM 0 HA ASP A 19 0.683 -9.317 6.301 1.00 0.00 H new ATOM 0 HB2 ASP A 19 0.932 -7.994 8.262 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -0.782 -8.044 8.622 1.00 0.00 H new ATOM 327 N GLN A 20 -2.527 -9.776 6.888 1.00 0.00 N ATOM 328 CA GLN A 20 -3.602 -10.754 6.905 1.00 0.00 C ATOM 329 C GLN A 20 -3.613 -11.554 5.601 1.00 0.00 C ATOM 330 O GLN A 20 -3.915 -12.747 5.603 1.00 0.00 O ATOM 331 CB GLN A 20 -4.954 -10.078 7.145 1.00 0.00 C ATOM 332 CG GLN A 20 -6.034 -11.113 7.468 1.00 0.00 C ATOM 333 CD GLN A 20 -7.066 -10.542 8.442 1.00 0.00 C ATOM 334 OE1 GLN A 20 -8.103 -10.028 8.058 1.00 0.00 O ATOM 335 NE2 GLN A 20 -6.725 -10.661 9.722 1.00 0.00 N ATOM 0 H GLN A 20 -2.832 -8.805 6.952 1.00 0.00 H new ATOM 0 HA GLN A 20 -3.426 -11.444 7.730 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -4.869 -9.367 7.967 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -5.243 -9.510 6.261 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -6.530 -11.425 6.549 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -5.574 -12.002 7.900 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -5.841 -11.102 9.975 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -7.347 -10.311 10.450 1.00 0.00 H new ATOM 344 N LEU A 21 -3.279 -10.866 4.519 1.00 0.00 N ATOM 345 CA LEU A 21 -3.247 -11.498 3.211 1.00 0.00 C ATOM 346 C LEU A 21 -1.931 -12.262 3.051 1.00 0.00 C ATOM 347 O LEU A 21 -1.914 -13.372 2.522 1.00 0.00 O ATOM 348 CB LEU A 21 -3.495 -10.465 2.111 1.00 0.00 C ATOM 349 CG LEU A 21 -2.935 -10.808 0.729 1.00 0.00 C ATOM 350 CD1 LEU A 21 -1.416 -10.623 0.692 1.00 0.00 C ATOM 351 CD2 LEU A 21 -3.351 -12.217 0.303 1.00 0.00 C ATOM 0 H LEU A 21 -3.028 -9.877 4.521 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.053 -12.226 3.120 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.570 -10.314 2.018 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -3.066 -9.515 2.429 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.362 -10.114 0.005 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.043 -10.873 -0.301 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.170 -9.586 0.921 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.952 -11.278 1.430 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -2.940 -12.435 -0.683 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -2.972 -12.942 1.023 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.439 -12.279 0.264 1.00 0.00 H new ATOM 363 N LYS A 22 -0.860 -11.637 3.518 1.00 0.00 N ATOM 364 CA LYS A 22 0.457 -12.244 3.434 1.00 0.00 C ATOM 365 C LYS A 22 0.428 -13.612 4.118 1.00 0.00 C ATOM 366 O LYS A 22 1.046 -14.563 3.640 1.00 0.00 O ATOM 367 CB LYS A 22 1.520 -11.298 3.996 1.00 0.00 C ATOM 368 CG LYS A 22 1.970 -10.289 2.937 1.00 0.00 C ATOM 369 CD LYS A 22 3.423 -9.866 3.166 1.00 0.00 C ATOM 370 CE LYS A 22 3.634 -9.381 4.601 1.00 0.00 C ATOM 371 NZ LYS A 22 3.072 -8.023 4.777 1.00 0.00 N ATOM 0 H LYS A 22 -0.878 -10.716 3.956 1.00 0.00 H new ATOM 0 HA LYS A 22 0.732 -12.413 2.393 1.00 0.00 H new ATOM 0 HB2 LYS A 22 1.120 -10.769 4.861 1.00 0.00 H new ATOM 0 HB3 LYS A 22 2.378 -11.874 4.343 1.00 0.00 H new ATOM 0 HG2 LYS A 22 1.867 -10.728 1.944 1.00 0.00 H new ATOM 0 HG3 LYS A 22 1.323 -9.412 2.967 1.00 0.00 H new ATOM 0 HD2 LYS A 22 4.086 -10.706 2.961 1.00 0.00 H new ATOM 0 HD3 LYS A 22 3.689 -9.072 2.468 1.00 0.00 H new ATOM 0 HE2 LYS A 22 3.158 -10.071 5.298 1.00 0.00 H new ATOM 0 HE3 LYS A 22 4.698 -9.374 4.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 3.817 -7.380 5.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 2.702 -7.680 3.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 2.301 -8.054 5.475 1.00 0.00 H new ATOM 385 N ASN A 23 -0.295 -13.669 5.227 1.00 0.00 N ATOM 386 CA ASN A 23 -0.413 -14.905 5.981 1.00 0.00 C ATOM 387 C ASN A 23 -1.249 -15.907 5.183 1.00 0.00 C ATOM 388 O ASN A 23 -1.431 -17.047 5.609 1.00 0.00 O ATOM 389 CB ASN A 23 -1.112 -14.667 7.322 1.00 0.00 C ATOM 390 CG ASN A 23 -0.238 -15.136 8.486 1.00 0.00 C ATOM 391 OD1 ASN A 23 0.633 -14.429 8.967 1.00 0.00 O ATOM 392 ND2 ASN A 23 -0.517 -16.365 8.911 1.00 0.00 N ATOM 0 H ASN A 23 -0.805 -12.879 5.621 1.00 0.00 H new ATOM 0 HA ASN A 23 0.592 -15.288 6.161 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -1.337 -13.607 7.436 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -2.063 -15.199 7.340 1.00 0.00 H new ATOM 0 HD21 ASN A 23 0.011 -16.769 9.684 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -1.259 -16.903 8.464 1.00 0.00 H new ATOM 399 N TYR A 24 -1.734 -15.446 4.040 1.00 0.00 N ATOM 400 CA TYR A 24 -2.547 -16.288 3.178 1.00 0.00 C ATOM 401 C TYR A 24 -2.013 -16.282 1.744 1.00 0.00 C ATOM 402 O TYR A 24 -2.756 -16.548 0.801 1.00 0.00 O ATOM 403 CB TYR A 24 -3.949 -15.676 3.191 1.00 0.00 C ATOM 404 CG TYR A 24 -4.845 -16.195 4.317 1.00 0.00 C ATOM 405 CD1 TYR A 24 -4.908 -17.549 4.580 1.00 0.00 C ATOM 406 CD2 TYR A 24 -5.590 -15.310 5.070 1.00 0.00 C ATOM 407 CE1 TYR A 24 -5.751 -18.037 5.641 1.00 0.00 C ATOM 408 CE2 TYR A 24 -6.433 -15.799 6.130 1.00 0.00 C ATOM 409 CZ TYR A 24 -6.472 -17.139 6.363 1.00 0.00 C ATOM 410 OH TYR A 24 -7.268 -17.600 7.364 1.00 0.00 O ATOM 0 H TYR A 24 -1.580 -14.500 3.690 1.00 0.00 H new ATOM 0 HA TYR A 24 -2.538 -17.320 3.530 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -3.861 -14.593 3.281 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -4.431 -15.878 2.235 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -4.326 -18.242 3.991 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -5.541 -14.251 4.864 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -5.809 -19.093 5.858 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -7.021 -15.117 6.727 1.00 0.00 H new ATOM 0 HH TYR A 24 -7.722 -16.846 7.794 1.00 0.00 H new ATOM 420 N VAL A 25 -0.729 -15.976 1.626 1.00 0.00 N ATOM 421 CA VAL A 25 -0.088 -15.932 0.323 1.00 0.00 C ATOM 422 C VAL A 25 -0.500 -17.163 -0.486 1.00 0.00 C ATOM 423 O VAL A 25 -0.495 -17.133 -1.715 1.00 0.00 O ATOM 424 CB VAL A 25 1.428 -15.806 0.490 1.00 0.00 C ATOM 425 CG1 VAL A 25 1.846 -14.340 0.621 1.00 0.00 C ATOM 426 CG2 VAL A 25 1.917 -16.625 1.687 1.00 0.00 C ATOM 0 H VAL A 25 -0.116 -15.756 2.411 1.00 0.00 H new ATOM 0 HA VAL A 25 -0.415 -15.054 -0.234 1.00 0.00 H new ATOM 0 HB VAL A 25 1.899 -16.209 -0.407 1.00 0.00 H new ATOM 0 HG11 VAL A 25 2.928 -14.279 0.738 1.00 0.00 H new ATOM 0 HG12 VAL A 25 1.547 -13.795 -0.274 1.00 0.00 H new ATOM 0 HG13 VAL A 25 1.361 -13.900 1.492 1.00 0.00 H new ATOM 0 HG21 VAL A 25 2.997 -16.518 1.784 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.434 -16.265 2.596 1.00 0.00 H new ATOM 0 HG23 VAL A 25 1.668 -17.675 1.535 1.00 0.00 H new ATOM 436 N ASN A 26 -0.848 -18.217 0.237 1.00 0.00 N ATOM 437 CA ASN A 26 -1.262 -19.457 -0.398 1.00 0.00 C ATOM 438 C ASN A 26 -2.407 -19.168 -1.371 1.00 0.00 C ATOM 439 O ASN A 26 -2.681 -19.965 -2.267 1.00 0.00 O ATOM 440 CB ASN A 26 -1.764 -20.465 0.637 1.00 0.00 C ATOM 441 CG ASN A 26 -1.700 -21.892 0.089 1.00 0.00 C ATOM 442 OD1 ASN A 26 -1.138 -22.156 -0.961 1.00 0.00 O ATOM 443 ND2 ASN A 26 -2.305 -22.794 0.856 1.00 0.00 N ATOM 0 H ASN A 26 -0.852 -18.238 1.257 1.00 0.00 H new ATOM 0 HA ASN A 26 -0.400 -19.874 -0.918 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -1.162 -20.392 1.543 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -2.790 -20.225 0.916 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -2.317 -23.775 0.577 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -2.757 -22.505 1.724 1.00 0.00 H new ATOM 450 N ASP A 27 -3.046 -18.026 -1.161 1.00 0.00 N ATOM 451 CA ASP A 27 -4.155 -17.623 -2.008 1.00 0.00 C ATOM 452 C ASP A 27 -3.745 -16.399 -2.830 1.00 0.00 C ATOM 453 O ASP A 27 -4.553 -15.501 -3.059 1.00 0.00 O ATOM 454 CB ASP A 27 -5.377 -17.241 -1.171 1.00 0.00 C ATOM 455 CG ASP A 27 -6.636 -16.912 -1.976 1.00 0.00 C ATOM 456 OD1 ASP A 27 -7.264 -17.875 -2.466 1.00 0.00 O ATOM 457 OD2 ASP A 27 -6.940 -15.704 -2.084 1.00 0.00 O ATOM 0 H ASP A 27 -2.817 -17.368 -0.417 1.00 0.00 H new ATOM 0 HA ASP A 27 -4.408 -18.464 -2.654 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -5.603 -18.062 -0.491 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -5.122 -16.378 -0.556 1.00 0.00 H new ATOM 462 N LEU A 28 -2.489 -16.404 -3.252 1.00 0.00 N ATOM 463 CA LEU A 28 -1.961 -15.305 -4.043 1.00 0.00 C ATOM 464 C LEU A 28 -1.436 -15.847 -5.374 1.00 0.00 C ATOM 465 O LEU A 28 -0.789 -16.893 -5.411 1.00 0.00 O ATOM 466 CB LEU A 28 -0.918 -14.522 -3.244 1.00 0.00 C ATOM 467 CG LEU A 28 -1.465 -13.570 -2.178 1.00 0.00 C ATOM 468 CD1 LEU A 28 -0.365 -12.647 -1.651 1.00 0.00 C ATOM 469 CD2 LEU A 28 -2.667 -12.786 -2.708 1.00 0.00 C ATOM 0 H LEU A 28 -1.822 -17.151 -3.061 1.00 0.00 H new ATOM 0 HA LEU A 28 -2.750 -14.591 -4.278 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.251 -15.235 -2.759 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.313 -13.944 -3.943 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.816 -14.166 -1.335 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.780 -11.981 -0.895 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.432 -13.246 -1.209 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.039 -12.056 -2.473 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.036 -12.117 -1.931 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.365 -12.201 -3.577 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.457 -13.480 -2.994 1.00 0.00 H new ATOM 481 N VAL A 29 -1.735 -15.112 -6.435 1.00 0.00 N ATOM 482 CA VAL A 29 -1.301 -15.506 -7.765 1.00 0.00 C ATOM 483 C VAL A 29 -0.168 -14.585 -8.221 1.00 0.00 C ATOM 484 O VAL A 29 -0.268 -13.365 -8.100 1.00 0.00 O ATOM 485 CB VAL A 29 -2.493 -15.509 -8.725 1.00 0.00 C ATOM 486 CG1 VAL A 29 -2.586 -14.185 -9.486 1.00 0.00 C ATOM 487 CG2 VAL A 29 -2.416 -16.693 -9.690 1.00 0.00 C ATOM 0 H VAL A 29 -2.273 -14.246 -6.401 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.908 -16.523 -7.753 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.401 -15.619 -8.133 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.441 -14.213 -10.161 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -2.710 -13.366 -8.777 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.673 -14.032 -10.062 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.275 -16.672 -10.361 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.498 -16.628 -10.273 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.421 -17.625 -9.124 1.00 0.00 H new ATOM 497 N PRO A 30 0.912 -15.220 -8.750 1.00 0.00 N ATOM 498 CA PRO A 30 2.062 -14.471 -9.225 1.00 0.00 C ATOM 499 C PRO A 30 1.761 -13.794 -10.564 1.00 0.00 C ATOM 500 O PRO A 30 1.728 -14.452 -11.603 1.00 0.00 O ATOM 501 CB PRO A 30 3.186 -15.490 -9.314 1.00 0.00 C ATOM 502 CG PRO A 30 2.512 -16.853 -9.334 1.00 0.00 C ATOM 503 CD PRO A 30 1.065 -16.663 -8.910 1.00 0.00 C ATOM 0 HA PRO A 30 2.336 -13.653 -8.558 1.00 0.00 H new ATOM 0 HB2 PRO A 30 3.783 -15.336 -10.213 1.00 0.00 H new ATOM 0 HB3 PRO A 30 3.862 -15.401 -8.464 1.00 0.00 H new ATOM 0 HG2 PRO A 30 2.563 -17.290 -10.331 1.00 0.00 H new ATOM 0 HG3 PRO A 30 3.021 -17.541 -8.658 1.00 0.00 H new ATOM 0 HD2 PRO A 30 0.378 -17.053 -9.661 1.00 0.00 H new ATOM 0 HD3 PRO A 30 0.853 -17.189 -7.979 1.00 0.00 H new ATOM 511 N GLU A 31 1.550 -12.488 -10.496 1.00 0.00 N ATOM 512 CA GLU A 31 1.253 -11.714 -11.689 1.00 0.00 C ATOM 513 C GLU A 31 2.112 -10.449 -11.730 1.00 0.00 C ATOM 514 O GLU A 31 2.658 -10.033 -10.709 1.00 0.00 O ATOM 515 CB GLU A 31 -0.236 -11.369 -11.763 1.00 0.00 C ATOM 516 CG GLU A 31 -1.046 -12.548 -12.305 1.00 0.00 C ATOM 517 CD GLU A 31 -1.462 -12.305 -13.758 1.00 0.00 C ATOM 518 OE1 GLU A 31 -1.913 -11.173 -14.037 1.00 0.00 O ATOM 519 OE2 GLU A 31 -1.318 -13.256 -14.556 1.00 0.00 O ATOM 0 H GLU A 31 1.579 -11.946 -9.632 1.00 0.00 H new ATOM 0 HA GLU A 31 1.495 -12.321 -12.561 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -0.600 -11.098 -10.772 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -0.380 -10.499 -12.404 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -0.454 -13.461 -12.240 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -1.933 -12.698 -11.689 1.00 0.00 H new ATOM 526 N PHE A 32 2.205 -9.873 -12.919 1.00 0.00 N ATOM 527 CA PHE A 32 2.988 -8.663 -13.106 1.00 0.00 C ATOM 528 C PHE A 32 2.368 -7.486 -12.350 1.00 0.00 C ATOM 529 O PHE A 32 1.486 -6.805 -12.871 1.00 0.00 O ATOM 530 CB PHE A 32 2.982 -8.353 -14.604 1.00 0.00 C ATOM 531 CG PHE A 32 3.686 -9.407 -15.461 1.00 0.00 C ATOM 532 CD1 PHE A 32 5.019 -9.629 -15.306 1.00 0.00 C ATOM 533 CD2 PHE A 32 2.979 -10.121 -16.377 1.00 0.00 C ATOM 534 CE1 PHE A 32 5.672 -10.607 -16.101 1.00 0.00 C ATOM 535 CE2 PHE A 32 3.633 -11.099 -17.173 1.00 0.00 C ATOM 536 CZ PHE A 32 4.966 -11.321 -17.018 1.00 0.00 C ATOM 0 H PHE A 32 1.751 -10.222 -13.763 1.00 0.00 H new ATOM 0 HA PHE A 32 3.999 -8.812 -12.726 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.950 -8.257 -14.940 1.00 0.00 H new ATOM 0 HB3 PHE A 32 3.462 -7.388 -14.767 1.00 0.00 H new ATOM 0 HD1 PHE A 32 5.580 -9.061 -14.578 1.00 0.00 H new ATOM 0 HD2 PHE A 32 1.921 -9.945 -16.499 1.00 0.00 H new ATOM 0 HE1 PHE A 32 6.730 -10.784 -15.977 1.00 0.00 H new ATOM 0 HE2 PHE A 32 3.072 -11.666 -17.901 1.00 0.00 H new ATOM 0 HZ PHE A 32 5.464 -12.064 -17.623 1.00 0.00 H new ATOM 546 N LEU A 33 2.853 -7.283 -11.134 1.00 0.00 N ATOM 547 CA LEU A 33 2.357 -6.200 -10.302 1.00 0.00 C ATOM 548 C LEU A 33 3.430 -5.115 -10.191 1.00 0.00 C ATOM 549 O LEU A 33 4.593 -5.412 -9.919 1.00 0.00 O ATOM 550 CB LEU A 33 1.884 -6.737 -8.950 1.00 0.00 C ATOM 551 CG LEU A 33 0.382 -6.641 -8.678 1.00 0.00 C ATOM 552 CD1 LEU A 33 -0.424 -6.915 -9.949 1.00 0.00 C ATOM 553 CD2 LEU A 33 -0.028 -7.566 -7.530 1.00 0.00 C ATOM 0 H LEU A 33 3.584 -7.850 -10.705 1.00 0.00 H new ATOM 0 HA LEU A 33 1.482 -5.738 -10.760 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.181 -7.783 -8.873 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.411 -6.198 -8.163 1.00 0.00 H new ATOM 0 HG LEU A 33 0.156 -5.621 -8.367 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.489 -6.840 -9.728 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.160 -6.183 -10.712 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.199 -7.917 -10.314 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.101 -7.478 -7.357 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.215 -8.597 -7.789 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.509 -7.283 -6.625 1.00 0.00 H new ATOM 565 N PRO A 34 2.991 -3.848 -10.414 1.00 0.00 N ATOM 566 CA PRO A 34 3.901 -2.717 -10.342 1.00 0.00 C ATOM 567 C PRO A 34 4.243 -2.380 -8.889 1.00 0.00 C ATOM 568 O PRO A 34 3.351 -2.232 -8.056 1.00 0.00 O ATOM 569 CB PRO A 34 3.181 -1.587 -11.060 1.00 0.00 C ATOM 570 CG PRO A 34 1.714 -1.985 -11.099 1.00 0.00 C ATOM 571 CD PRO A 34 1.622 -3.459 -10.738 1.00 0.00 C ATOM 0 HA PRO A 34 4.863 -2.921 -10.812 1.00 0.00 H new ATOM 0 HB2 PRO A 34 3.315 -0.642 -10.534 1.00 0.00 H new ATOM 0 HB3 PRO A 34 3.575 -1.450 -12.067 1.00 0.00 H new ATOM 0 HG2 PRO A 34 1.136 -1.383 -10.397 1.00 0.00 H new ATOM 0 HG3 PRO A 34 1.296 -1.808 -12.090 1.00 0.00 H new ATOM 0 HD2 PRO A 34 0.954 -3.618 -9.891 1.00 0.00 H new ATOM 0 HD3 PRO A 34 1.230 -4.046 -11.568 1.00 0.00 H new ATOM 579 N ALA A 35 5.538 -2.270 -8.631 1.00 0.00 N ATOM 580 CA ALA A 35 6.010 -1.953 -7.293 1.00 0.00 C ATOM 581 C ALA A 35 7.139 -0.925 -7.385 1.00 0.00 C ATOM 582 O ALA A 35 8.237 -1.243 -7.841 1.00 0.00 O ATOM 583 CB ALA A 35 6.447 -3.239 -6.589 1.00 0.00 C ATOM 0 H ALA A 35 6.275 -2.395 -9.325 1.00 0.00 H new ATOM 0 HA ALA A 35 5.211 -1.511 -6.698 1.00 0.00 H new ATOM 0 HB1 ALA A 35 6.801 -3.002 -5.586 1.00 0.00 H new ATOM 0 HB2 ALA A 35 5.601 -3.923 -6.523 1.00 0.00 H new ATOM 0 HB3 ALA A 35 7.251 -3.709 -7.156 1.00 0.00 H new ATOM 589 N PRO A 36 6.823 0.318 -6.934 1.00 0.00 N ATOM 590 CA PRO A 36 7.798 1.395 -6.961 1.00 0.00 C ATOM 591 C PRO A 36 8.839 1.220 -5.853 1.00 0.00 C ATOM 592 O PRO A 36 8.498 1.219 -4.671 1.00 0.00 O ATOM 593 CB PRO A 36 6.982 2.669 -6.814 1.00 0.00 C ATOM 594 CG PRO A 36 5.639 2.240 -6.245 1.00 0.00 C ATOM 595 CD PRO A 36 5.533 0.730 -6.388 1.00 0.00 C ATOM 0 HA PRO A 36 8.378 1.414 -7.884 1.00 0.00 H new ATOM 0 HB2 PRO A 36 7.479 3.377 -6.151 1.00 0.00 H new ATOM 0 HB3 PRO A 36 6.858 3.167 -7.776 1.00 0.00 H new ATOM 0 HG2 PRO A 36 5.558 2.531 -5.198 1.00 0.00 H new ATOM 0 HG3 PRO A 36 4.824 2.732 -6.777 1.00 0.00 H new ATOM 0 HD2 PRO A 36 5.340 0.254 -5.427 1.00 0.00 H new ATOM 0 HD3 PRO A 36 4.715 0.452 -7.052 1.00 0.00 H new ATOM 603 N GLU A 37 10.086 1.076 -6.275 1.00 0.00 N ATOM 604 CA GLU A 37 11.179 0.900 -5.333 1.00 0.00 C ATOM 605 C GLU A 37 11.884 2.235 -5.084 1.00 0.00 C ATOM 606 O GLU A 37 12.308 2.903 -6.026 1.00 0.00 O ATOM 607 CB GLU A 37 12.166 -0.157 -5.830 1.00 0.00 C ATOM 608 CG GLU A 37 12.921 0.335 -7.066 1.00 0.00 C ATOM 609 CD GLU A 37 12.958 -0.744 -8.151 1.00 0.00 C ATOM 610 OE1 GLU A 37 11.891 -0.972 -8.761 1.00 0.00 O ATOM 611 OE2 GLU A 37 14.052 -1.316 -8.346 1.00 0.00 O ATOM 0 H GLU A 37 10.364 1.078 -7.256 1.00 0.00 H new ATOM 0 HA GLU A 37 10.766 0.547 -4.388 1.00 0.00 H new ATOM 0 HB2 GLU A 37 12.875 -0.398 -5.038 1.00 0.00 H new ATOM 0 HB3 GLU A 37 11.631 -1.076 -6.069 1.00 0.00 H new ATOM 0 HG2 GLU A 37 12.441 1.232 -7.457 1.00 0.00 H new ATOM 0 HG3 GLU A 37 13.938 0.612 -6.789 1.00 0.00 H new ATOM 618 N ASP A 38 11.989 2.584 -3.810 1.00 0.00 N ATOM 619 CA ASP A 38 12.636 3.827 -3.425 1.00 0.00 C ATOM 620 C ASP A 38 11.876 5.004 -4.040 1.00 0.00 C ATOM 621 O ASP A 38 12.048 5.311 -5.218 1.00 0.00 O ATOM 622 CB ASP A 38 14.078 3.878 -3.934 1.00 0.00 C ATOM 623 CG ASP A 38 15.128 4.201 -2.869 1.00 0.00 C ATOM 624 OD1 ASP A 38 14.730 4.289 -1.687 1.00 0.00 O ATOM 625 OD2 ASP A 38 16.305 4.352 -3.261 1.00 0.00 O ATOM 0 H ASP A 38 11.637 2.028 -3.031 1.00 0.00 H new ATOM 0 HA ASP A 38 12.635 3.884 -2.337 1.00 0.00 H new ATOM 0 HB2 ASP A 38 14.323 2.916 -4.384 1.00 0.00 H new ATOM 0 HB3 ASP A 38 14.142 4.626 -4.725 1.00 0.00 H new ATOM 630 N VAL A 39 11.051 5.631 -3.214 1.00 0.00 N ATOM 631 CA VAL A 39 10.264 6.767 -3.661 1.00 0.00 C ATOM 632 C VAL A 39 10.751 8.031 -2.950 1.00 0.00 C ATOM 633 O VAL A 39 11.010 8.010 -1.747 1.00 0.00 O ATOM 634 CB VAL A 39 8.775 6.492 -3.440 1.00 0.00 C ATOM 635 CG1 VAL A 39 8.043 6.334 -4.774 1.00 0.00 C ATOM 636 CG2 VAL A 39 8.570 5.263 -2.553 1.00 0.00 C ATOM 0 H VAL A 39 10.911 5.373 -2.237 1.00 0.00 H new ATOM 0 HA VAL A 39 10.396 6.925 -4.731 1.00 0.00 H new ATOM 0 HB VAL A 39 8.349 7.352 -2.924 1.00 0.00 H new ATOM 0 HG11 VAL A 39 6.987 6.139 -4.589 1.00 0.00 H new ATOM 0 HG12 VAL A 39 8.146 7.249 -5.356 1.00 0.00 H new ATOM 0 HG13 VAL A 39 8.474 5.500 -5.329 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.503 5.090 -2.412 1.00 0.00 H new ATOM 0 HG22 VAL A 39 9.019 4.391 -3.029 1.00 0.00 H new ATOM 0 HG23 VAL A 39 9.042 5.430 -1.585 1.00 0.00 H new ATOM 646 N GLU A 40 10.861 9.102 -3.722 1.00 0.00 N ATOM 647 CA GLU A 40 11.312 10.372 -3.181 1.00 0.00 C ATOM 648 C GLU A 40 10.415 10.802 -2.018 1.00 0.00 C ATOM 649 O GLU A 40 9.253 10.406 -1.947 1.00 0.00 O ATOM 650 CB GLU A 40 11.353 11.448 -4.268 1.00 0.00 C ATOM 651 CG GLU A 40 11.826 12.786 -3.698 1.00 0.00 C ATOM 652 CD GLU A 40 12.475 13.647 -4.784 1.00 0.00 C ATOM 653 OE1 GLU A 40 13.695 13.471 -4.993 1.00 0.00 O ATOM 654 OE2 GLU A 40 11.737 14.460 -5.380 1.00 0.00 O ATOM 0 H GLU A 40 10.645 9.116 -4.719 1.00 0.00 H new ATOM 0 HA GLU A 40 12.327 10.244 -2.804 1.00 0.00 H new ATOM 0 HB2 GLU A 40 12.021 11.134 -5.070 1.00 0.00 H new ATOM 0 HB3 GLU A 40 10.362 11.565 -4.706 1.00 0.00 H new ATOM 0 HG2 GLU A 40 10.981 13.319 -3.263 1.00 0.00 H new ATOM 0 HG3 GLU A 40 12.540 12.610 -2.893 1.00 0.00 H new ATOM 661 N THR A 41 10.989 11.607 -1.136 1.00 0.00 N ATOM 662 CA THR A 41 10.256 12.095 0.020 1.00 0.00 C ATOM 663 C THR A 41 8.795 12.358 -0.348 1.00 0.00 C ATOM 664 O THR A 41 7.898 12.143 0.466 1.00 0.00 O ATOM 665 CB THR A 41 10.982 13.333 0.552 1.00 0.00 C ATOM 666 OG1 THR A 41 12.059 12.801 1.318 1.00 0.00 O ATOM 667 CG2 THR A 41 10.145 14.108 1.571 1.00 0.00 C ATOM 0 H THR A 41 11.953 11.934 -1.199 1.00 0.00 H new ATOM 0 HA THR A 41 10.229 11.350 0.815 1.00 0.00 H new ATOM 0 HB THR A 41 11.240 13.989 -0.279 1.00 0.00 H new ATOM 0 HG1 THR A 41 12.584 13.536 1.699 1.00 0.00 H new ATOM 0 HG21 THR A 41 10.705 14.976 1.917 1.00 0.00 H new ATOM 0 HG22 THR A 41 9.217 14.438 1.104 1.00 0.00 H new ATOM 0 HG23 THR A 41 9.915 13.463 2.419 1.00 0.00 H new ATOM 675 N ASN A 42 8.600 12.820 -1.574 1.00 0.00 N ATOM 676 CA ASN A 42 7.263 13.115 -2.059 1.00 0.00 C ATOM 677 C ASN A 42 6.990 12.293 -3.321 1.00 0.00 C ATOM 678 O ASN A 42 6.669 12.849 -4.370 1.00 0.00 O ATOM 679 CB ASN A 42 7.121 14.595 -2.419 1.00 0.00 C ATOM 680 CG ASN A 42 7.106 15.466 -1.161 1.00 0.00 C ATOM 681 OD1 ASN A 42 8.123 15.718 -0.537 1.00 0.00 O ATOM 682 ND2 ASN A 42 5.898 15.910 -0.826 1.00 0.00 N ATOM 0 H ASN A 42 9.346 12.997 -2.246 1.00 0.00 H new ATOM 0 HA ASN A 42 6.555 12.867 -1.268 1.00 0.00 H new ATOM 0 HB2 ASN A 42 7.946 14.897 -3.065 1.00 0.00 H new ATOM 0 HB3 ASN A 42 6.201 14.749 -2.983 1.00 0.00 H new ATOM 0 HD21 ASN A 42 5.782 16.500 -0.002 1.00 0.00 H new ATOM 0 HD22 ASN A 42 5.088 15.661 -1.393 1.00 0.00 H new ATOM 689 N CYS A 43 7.128 10.983 -3.177 1.00 0.00 N ATOM 690 CA CYS A 43 6.900 10.080 -4.292 1.00 0.00 C ATOM 691 C CYS A 43 6.006 8.936 -3.809 1.00 0.00 C ATOM 692 O CYS A 43 5.045 8.568 -4.483 1.00 0.00 O ATOM 693 CB CYS A 43 8.215 9.566 -4.881 1.00 0.00 C ATOM 694 SG CYS A 43 8.126 9.070 -6.640 1.00 0.00 S ATOM 0 H CYS A 43 7.395 10.526 -2.305 1.00 0.00 H new ATOM 0 HA CYS A 43 6.400 10.615 -5.100 1.00 0.00 H new ATOM 0 HB2 CYS A 43 8.972 10.343 -4.775 1.00 0.00 H new ATOM 0 HB3 CYS A 43 8.550 8.711 -4.294 1.00 0.00 H new ATOM 0 HG CYS A 43 7.371 8.018 -6.757 1.00 0.00 H new ATOM 699 N GLU A 44 6.354 8.407 -2.646 1.00 0.00 N ATOM 700 CA GLU A 44 5.595 7.312 -2.064 1.00 0.00 C ATOM 701 C GLU A 44 4.108 7.465 -2.392 1.00 0.00 C ATOM 702 O GLU A 44 3.425 6.480 -2.668 1.00 0.00 O ATOM 703 CB GLU A 44 5.818 7.232 -0.553 1.00 0.00 C ATOM 704 CG GLU A 44 5.728 8.618 0.089 1.00 0.00 C ATOM 705 CD GLU A 44 4.402 8.793 0.832 1.00 0.00 C ATOM 706 OE1 GLU A 44 3.500 7.964 0.586 1.00 0.00 O ATOM 707 OE2 GLU A 44 4.322 9.751 1.631 1.00 0.00 O ATOM 0 H GLU A 44 7.152 8.716 -2.090 1.00 0.00 H new ATOM 0 HA GLU A 44 5.949 6.378 -2.500 1.00 0.00 H new ATOM 0 HB2 GLU A 44 5.075 6.572 -0.107 1.00 0.00 H new ATOM 0 HB3 GLU A 44 6.796 6.796 -0.349 1.00 0.00 H new ATOM 0 HG2 GLU A 44 6.558 8.756 0.782 1.00 0.00 H new ATOM 0 HG3 GLU A 44 5.823 9.385 -0.679 1.00 0.00 H new ATOM 714 N TRP A 45 3.650 8.708 -2.350 1.00 0.00 N ATOM 715 CA TRP A 45 2.257 9.002 -2.639 1.00 0.00 C ATOM 716 C TRP A 45 1.983 8.612 -4.093 1.00 0.00 C ATOM 717 O TRP A 45 1.138 7.760 -4.361 1.00 0.00 O ATOM 718 CB TRP A 45 1.933 10.468 -2.342 1.00 0.00 C ATOM 719 CG TRP A 45 1.828 10.792 -0.850 1.00 0.00 C ATOM 720 CD1 TRP A 45 2.639 11.563 -0.114 1.00 0.00 C ATOM 721 CD2 TRP A 45 0.815 10.319 0.063 1.00 0.00 C ATOM 722 NE1 TRP A 45 2.226 11.622 1.201 1.00 0.00 N ATOM 723 CE2 TRP A 45 1.081 10.841 1.312 1.00 0.00 C ATOM 724 CE3 TRP A 45 -0.290 9.478 -0.160 1.00 0.00 C ATOM 725 CZ2 TRP A 45 0.288 10.581 2.436 1.00 0.00 C ATOM 726 CZ3 TRP A 45 -1.072 9.228 0.974 1.00 0.00 C ATOM 727 CH2 TRP A 45 -0.818 9.746 2.238 1.00 0.00 C ATOM 0 H TRP A 45 4.219 9.523 -2.120 1.00 0.00 H new ATOM 0 HA TRP A 45 1.598 8.422 -1.993 1.00 0.00 H new ATOM 0 HB2 TRP A 45 2.704 11.097 -2.787 1.00 0.00 H new ATOM 0 HB3 TRP A 45 0.992 10.727 -2.827 1.00 0.00 H new ATOM 0 HD1 TRP A 45 3.508 12.075 -0.501 1.00 0.00 H new ATOM 0 HE1 TRP A 45 2.677 12.143 1.953 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -0.517 9.058 -1.129 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 0.517 11.002 3.404 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -1.934 8.587 0.858 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -1.471 9.506 3.064 1.00 0.00 H new ATOM 738 N SER A 46 2.713 9.256 -4.992 1.00 0.00 N ATOM 739 CA SER A 46 2.559 8.987 -6.412 1.00 0.00 C ATOM 740 C SER A 46 2.772 7.497 -6.688 1.00 0.00 C ATOM 741 O SER A 46 2.373 6.994 -7.737 1.00 0.00 O ATOM 742 CB SER A 46 3.534 9.825 -7.240 1.00 0.00 C ATOM 743 OG SER A 46 3.127 9.928 -8.602 1.00 0.00 O ATOM 0 H SER A 46 3.412 9.963 -4.765 1.00 0.00 H new ATOM 0 HA SER A 46 1.546 9.263 -6.705 1.00 0.00 H new ATOM 0 HB2 SER A 46 3.611 10.823 -6.808 1.00 0.00 H new ATOM 0 HB3 SER A 46 4.527 9.379 -7.191 1.00 0.00 H new ATOM 0 HG SER A 46 3.775 10.472 -9.097 1.00 0.00 H new ATOM 749 N ALA A 47 3.400 6.834 -5.729 1.00 0.00 N ATOM 750 CA ALA A 47 3.671 5.412 -5.856 1.00 0.00 C ATOM 751 C ALA A 47 2.481 4.620 -5.311 1.00 0.00 C ATOM 752 O ALA A 47 2.157 3.548 -5.822 1.00 0.00 O ATOM 753 CB ALA A 47 4.976 5.074 -5.133 1.00 0.00 C ATOM 0 H ALA A 47 3.729 7.255 -4.860 1.00 0.00 H new ATOM 0 HA ALA A 47 3.798 5.138 -6.903 1.00 0.00 H new ATOM 0 HB1 ALA A 47 5.179 4.007 -5.228 1.00 0.00 H new ATOM 0 HB2 ALA A 47 5.795 5.640 -5.577 1.00 0.00 H new ATOM 0 HB3 ALA A 47 4.885 5.333 -4.078 1.00 0.00 H new ATOM 759 N PHE A 48 1.861 5.177 -4.281 1.00 0.00 N ATOM 760 CA PHE A 48 0.714 4.536 -3.661 1.00 0.00 C ATOM 761 C PHE A 48 -0.259 4.012 -4.719 1.00 0.00 C ATOM 762 O PHE A 48 -0.785 2.907 -4.591 1.00 0.00 O ATOM 763 CB PHE A 48 0.008 5.600 -2.819 1.00 0.00 C ATOM 764 CG PHE A 48 -0.930 5.030 -1.754 1.00 0.00 C ATOM 765 CD1 PHE A 48 -0.448 4.176 -0.810 1.00 0.00 C ATOM 766 CD2 PHE A 48 -2.246 5.375 -1.749 1.00 0.00 C ATOM 767 CE1 PHE A 48 -1.319 3.647 0.179 1.00 0.00 C ATOM 768 CE2 PHE A 48 -3.116 4.846 -0.760 1.00 0.00 C ATOM 769 CZ PHE A 48 -2.634 3.992 0.183 1.00 0.00 C ATOM 0 H PHE A 48 2.132 6.066 -3.860 1.00 0.00 H new ATOM 0 HA PHE A 48 1.042 3.690 -3.057 1.00 0.00 H new ATOM 0 HB2 PHE A 48 0.760 6.221 -2.331 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -0.563 6.252 -3.480 1.00 0.00 H new ATOM 0 HD1 PHE A 48 0.596 3.901 -0.813 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -2.629 6.052 -2.498 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -0.936 2.970 0.929 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -4.160 5.121 -0.756 1.00 0.00 H new ATOM 0 HZ PHE A 48 -3.296 3.588 0.935 1.00 0.00 H new ATOM 779 N SER A 49 -0.469 4.829 -5.741 1.00 0.00 N ATOM 780 CA SER A 49 -1.369 4.461 -6.821 1.00 0.00 C ATOM 781 C SER A 49 -0.859 3.200 -7.521 1.00 0.00 C ATOM 782 O SER A 49 -1.649 2.349 -7.927 1.00 0.00 O ATOM 783 CB SER A 49 -1.518 5.604 -7.827 1.00 0.00 C ATOM 784 OG SER A 49 -0.300 5.869 -8.518 1.00 0.00 O ATOM 0 H SER A 49 -0.031 5.745 -5.844 1.00 0.00 H new ATOM 0 HA SER A 49 -2.351 4.259 -6.394 1.00 0.00 H new ATOM 0 HB2 SER A 49 -2.297 5.354 -8.548 1.00 0.00 H new ATOM 0 HB3 SER A 49 -1.843 6.505 -7.307 1.00 0.00 H new ATOM 0 HG SER A 49 0.359 6.233 -7.891 1.00 0.00 H new ATOM 790 N CYS A 50 0.458 3.120 -7.640 1.00 0.00 N ATOM 791 CA CYS A 50 1.083 1.977 -8.284 1.00 0.00 C ATOM 792 C CYS A 50 0.636 0.710 -7.553 1.00 0.00 C ATOM 793 O CYS A 50 0.286 -0.285 -8.185 1.00 0.00 O ATOM 794 CB CYS A 50 2.607 2.110 -8.318 1.00 0.00 C ATOM 795 SG CYS A 50 3.349 2.014 -9.988 1.00 0.00 S ATOM 0 H CYS A 50 1.110 3.828 -7.301 1.00 0.00 H new ATOM 0 HA CYS A 50 0.766 1.925 -9.326 1.00 0.00 H new ATOM 0 HB2 CYS A 50 2.885 3.063 -7.867 1.00 0.00 H new ATOM 0 HB3 CYS A 50 3.040 1.325 -7.698 1.00 0.00 H new ATOM 0 HG CYS A 50 4.640 2.141 -9.897 1.00 0.00 H new ATOM 800 N PHE A 51 0.663 0.788 -6.230 1.00 0.00 N ATOM 801 CA PHE A 51 0.265 -0.341 -5.406 1.00 0.00 C ATOM 802 C PHE A 51 -1.239 -0.598 -5.517 1.00 0.00 C ATOM 803 O PHE A 51 -1.690 -1.733 -5.377 1.00 0.00 O ATOM 804 CB PHE A 51 0.604 0.022 -3.959 1.00 0.00 C ATOM 805 CG PHE A 51 2.101 0.003 -3.646 1.00 0.00 C ATOM 806 CD1 PHE A 51 2.852 -1.081 -3.978 1.00 0.00 C ATOM 807 CD2 PHE A 51 2.682 1.072 -3.037 1.00 0.00 C ATOM 808 CE1 PHE A 51 4.242 -1.098 -3.688 1.00 0.00 C ATOM 809 CE2 PHE A 51 4.072 1.055 -2.747 1.00 0.00 C ATOM 810 CZ PHE A 51 4.823 -0.030 -3.079 1.00 0.00 C ATOM 0 H PHE A 51 0.954 1.615 -5.709 1.00 0.00 H new ATOM 0 HA PHE A 51 0.784 -1.242 -5.732 1.00 0.00 H new ATOM 0 HB2 PHE A 51 0.211 1.015 -3.743 1.00 0.00 H new ATOM 0 HB3 PHE A 51 0.095 -0.674 -3.292 1.00 0.00 H new ATOM 0 HD1 PHE A 51 2.391 -1.929 -4.462 1.00 0.00 H new ATOM 0 HD2 PHE A 51 2.086 1.933 -2.774 1.00 0.00 H new ATOM 0 HE1 PHE A 51 4.838 -1.959 -3.951 1.00 0.00 H new ATOM 0 HE2 PHE A 51 4.533 1.903 -2.263 1.00 0.00 H new ATOM 0 HZ PHE A 51 5.880 -0.043 -2.859 1.00 0.00 H new ATOM 820 N GLN A 52 -1.973 0.477 -5.767 1.00 0.00 N ATOM 821 CA GLN A 52 -3.417 0.382 -5.898 1.00 0.00 C ATOM 822 C GLN A 52 -3.787 -0.272 -7.231 1.00 0.00 C ATOM 823 O GLN A 52 -4.386 -1.346 -7.255 1.00 0.00 O ATOM 824 CB GLN A 52 -4.072 1.758 -5.762 1.00 0.00 C ATOM 825 CG GLN A 52 -4.603 1.974 -4.344 1.00 0.00 C ATOM 826 CD GLN A 52 -3.539 1.630 -3.301 1.00 0.00 C ATOM 827 OE1 GLN A 52 -3.329 0.481 -2.946 1.00 0.00 O ATOM 828 NE2 GLN A 52 -2.881 2.685 -2.830 1.00 0.00 N ATOM 0 H GLN A 52 -1.595 1.417 -5.882 1.00 0.00 H new ATOM 0 HA GLN A 52 -3.795 -0.245 -5.090 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -3.348 2.535 -6.005 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -4.889 1.848 -6.478 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -4.914 3.012 -4.223 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -5.486 1.356 -4.185 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -3.106 3.620 -3.170 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -2.151 2.559 -2.129 1.00 0.00 H new ATOM 837 N LYS A 53 -3.415 0.404 -8.309 1.00 0.00 N ATOM 838 CA LYS A 53 -3.701 -0.098 -9.642 1.00 0.00 C ATOM 839 C LYS A 53 -3.176 -1.530 -9.767 1.00 0.00 C ATOM 840 O LYS A 53 -3.638 -2.292 -10.615 1.00 0.00 O ATOM 841 CB LYS A 53 -3.146 0.855 -10.703 1.00 0.00 C ATOM 842 CG LYS A 53 -1.641 0.651 -10.890 1.00 0.00 C ATOM 843 CD LYS A 53 -1.330 0.115 -12.289 1.00 0.00 C ATOM 844 CE LYS A 53 -0.532 1.136 -13.102 1.00 0.00 C ATOM 845 NZ LYS A 53 0.002 0.514 -14.334 1.00 0.00 N ATOM 0 H LYS A 53 -2.918 1.295 -8.286 1.00 0.00 H new ATOM 0 HA LYS A 53 -4.777 -0.137 -9.812 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -3.659 0.689 -11.650 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -3.343 1.886 -10.410 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -1.120 1.596 -10.735 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -1.269 -0.045 -10.139 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -0.765 -0.814 -12.209 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -2.260 -0.121 -12.807 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -1.169 1.981 -13.361 1.00 0.00 H new ATOM 0 HE3 LYS A 53 0.288 1.528 -12.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 0.541 1.221 -14.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 0.626 -0.278 -14.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -0.786 0.162 -14.915 1.00 0.00 H new ATOM 859 N ALA A 54 -2.220 -1.852 -8.909 1.00 0.00 N ATOM 860 CA ALA A 54 -1.628 -3.179 -8.912 1.00 0.00 C ATOM 861 C ALA A 54 -2.740 -4.229 -8.940 1.00 0.00 C ATOM 862 O ALA A 54 -2.735 -5.122 -9.787 1.00 0.00 O ATOM 863 CB ALA A 54 -0.712 -3.333 -7.696 1.00 0.00 C ATOM 0 H ALA A 54 -1.840 -1.217 -8.207 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.015 -3.323 -9.802 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.268 -4.329 -7.699 1.00 0.00 H new ATOM 0 HB2 ALA A 54 0.078 -2.583 -7.738 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -1.293 -3.197 -6.784 1.00 0.00 H new ATOM 869 N GLN A 55 -3.668 -4.088 -8.005 1.00 0.00 N ATOM 870 CA GLN A 55 -4.785 -5.013 -7.912 1.00 0.00 C ATOM 871 C GLN A 55 -4.284 -6.415 -7.560 1.00 0.00 C ATOM 872 O GLN A 55 -3.613 -7.059 -8.364 1.00 0.00 O ATOM 873 CB GLN A 55 -5.592 -5.029 -9.211 1.00 0.00 C ATOM 874 CG GLN A 55 -6.777 -5.992 -9.108 1.00 0.00 C ATOM 875 CD GLN A 55 -7.344 -6.315 -10.492 1.00 0.00 C ATOM 876 OE1 GLN A 55 -8.322 -5.739 -10.940 1.00 0.00 O ATOM 877 NE2 GLN A 55 -6.677 -7.264 -11.142 1.00 0.00 N ATOM 0 H GLN A 55 -3.669 -3.347 -7.305 1.00 0.00 H new ATOM 0 HA GLN A 55 -5.448 -4.675 -7.115 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -5.953 -4.024 -9.431 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -4.949 -5.325 -10.039 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -6.461 -6.912 -8.617 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -7.556 -5.551 -8.486 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -5.866 -7.705 -10.709 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -6.976 -7.550 -12.074 1.00 0.00 H new ATOM 886 N LEU A 56 -4.630 -6.846 -6.355 1.00 0.00 N ATOM 887 CA LEU A 56 -4.224 -8.161 -5.887 1.00 0.00 C ATOM 888 C LEU A 56 -5.104 -9.226 -6.544 1.00 0.00 C ATOM 889 O LEU A 56 -6.309 -9.033 -6.698 1.00 0.00 O ATOM 890 CB LEU A 56 -4.237 -8.211 -4.357 1.00 0.00 C ATOM 891 CG LEU A 56 -3.084 -8.975 -3.702 1.00 0.00 C ATOM 892 CD1 LEU A 56 -3.449 -9.405 -2.280 1.00 0.00 C ATOM 893 CD2 LEU A 56 -2.651 -10.161 -4.566 1.00 0.00 C ATOM 0 H LEU A 56 -5.186 -6.309 -5.690 1.00 0.00 H new ATOM 0 HA LEU A 56 -3.196 -8.370 -6.182 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.230 -7.188 -3.980 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -5.175 -8.663 -4.036 1.00 0.00 H new ATOM 0 HG LEU A 56 -2.229 -8.303 -3.626 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -2.613 -9.946 -1.837 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -3.670 -8.523 -1.679 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -4.325 -10.053 -2.309 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.830 -10.687 -4.078 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -3.492 -10.842 -4.696 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.322 -9.800 -5.540 1.00 0.00 H new ATOM 905 N LYS A 57 -4.467 -10.327 -6.914 1.00 0.00 N ATOM 906 CA LYS A 57 -5.176 -11.423 -7.552 1.00 0.00 C ATOM 907 C LYS A 57 -4.822 -12.734 -6.846 1.00 0.00 C ATOM 908 O LYS A 57 -3.652 -13.106 -6.770 1.00 0.00 O ATOM 909 CB LYS A 57 -4.896 -11.440 -9.056 1.00 0.00 C ATOM 910 CG LYS A 57 -6.118 -11.927 -9.836 1.00 0.00 C ATOM 911 CD LYS A 57 -6.988 -10.750 -10.283 1.00 0.00 C ATOM 912 CE LYS A 57 -8.420 -11.205 -10.571 1.00 0.00 C ATOM 913 NZ LYS A 57 -8.956 -10.506 -11.761 1.00 0.00 N ATOM 0 H LYS A 57 -3.468 -10.484 -6.784 1.00 0.00 H new ATOM 0 HA LYS A 57 -6.253 -11.288 -7.453 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -4.622 -10.439 -9.390 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -4.045 -12.089 -9.264 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -5.794 -12.496 -10.707 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -6.705 -12.602 -9.214 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -6.995 -9.983 -9.508 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -6.560 -10.296 -11.177 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -8.440 -12.282 -10.735 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -9.053 -11.003 -9.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -9.929 -10.826 -11.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -8.955 -9.480 -11.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -8.361 -10.720 -12.587 1.00 0.00 H new ATOM 927 N SER A 58 -5.855 -13.397 -6.346 1.00 0.00 N ATOM 928 CA SER A 58 -5.667 -14.658 -5.649 1.00 0.00 C ATOM 929 C SER A 58 -5.302 -15.759 -6.646 1.00 0.00 C ATOM 930 O SER A 58 -5.575 -15.636 -7.839 1.00 0.00 O ATOM 931 CB SER A 58 -6.924 -15.046 -4.866 1.00 0.00 C ATOM 932 OG SER A 58 -7.325 -14.023 -3.959 1.00 0.00 O ATOM 0 H SER A 58 -6.824 -13.085 -6.410 1.00 0.00 H new ATOM 0 HA SER A 58 -4.850 -14.537 -4.937 1.00 0.00 H new ATOM 0 HB2 SER A 58 -7.736 -15.251 -5.563 1.00 0.00 H new ATOM 0 HB3 SER A 58 -6.737 -15.967 -4.314 1.00 0.00 H new ATOM 0 HG SER A 58 -7.491 -14.415 -3.076 1.00 0.00 H new ATOM 938 N ALA A 59 -4.689 -16.809 -6.121 1.00 0.00 N ATOM 939 CA ALA A 59 -4.283 -17.931 -6.950 1.00 0.00 C ATOM 940 C ALA A 59 -5.514 -18.519 -7.644 1.00 0.00 C ATOM 941 O ALA A 59 -5.390 -19.223 -8.645 1.00 0.00 O ATOM 942 CB ALA A 59 -3.550 -18.963 -6.091 1.00 0.00 C ATOM 0 H ALA A 59 -4.463 -16.907 -5.131 1.00 0.00 H new ATOM 0 HA ALA A 59 -3.592 -17.603 -7.726 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -3.246 -19.804 -6.714 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -2.668 -18.504 -5.645 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.214 -19.317 -5.302 1.00 0.00 H new ATOM 948 N ASN A 60 -6.674 -18.207 -7.084 1.00 0.00 N ATOM 949 CA ASN A 60 -7.926 -18.696 -7.636 1.00 0.00 C ATOM 950 C ASN A 60 -8.072 -20.185 -7.318 1.00 0.00 C ATOM 951 O ASN A 60 -8.370 -20.986 -8.202 1.00 0.00 O ATOM 952 CB ASN A 60 -7.958 -18.532 -9.157 1.00 0.00 C ATOM 953 CG ASN A 60 -7.387 -17.176 -9.575 1.00 0.00 C ATOM 954 OD1 ASN A 60 -7.892 -16.124 -9.219 1.00 0.00 O ATOM 955 ND2 ASN A 60 -6.308 -17.258 -10.348 1.00 0.00 N ATOM 0 H ASN A 60 -6.773 -17.622 -6.254 1.00 0.00 H new ATOM 0 HA ASN A 60 -8.738 -18.119 -7.193 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -7.384 -19.332 -9.625 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -8.983 -18.625 -9.515 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -5.852 -16.408 -10.679 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -5.936 -18.171 -10.609 1.00 0.00 H new ATOM 997 N ASN A 64 -8.889 -19.226 0.661 1.00 0.00 N ATOM 998 CA ASN A 64 -8.852 -17.857 1.146 1.00 0.00 C ATOM 999 C ASN A 64 -8.971 -16.897 -0.040 1.00 0.00 C ATOM 1000 O ASN A 64 -8.285 -15.877 -0.088 1.00 0.00 O ATOM 1001 CB ASN A 64 -7.534 -17.562 1.863 1.00 0.00 C ATOM 1002 CG ASN A 64 -7.079 -18.765 2.692 1.00 0.00 C ATOM 1003 OD1 ASN A 64 -7.659 -19.104 3.711 1.00 0.00 O ATOM 1004 ND2 ASN A 64 -6.012 -19.388 2.201 1.00 0.00 N ATOM 0 HA ASN A 64 -9.679 -17.724 1.843 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -6.767 -17.309 1.131 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -7.655 -16.694 2.511 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -5.631 -20.202 2.682 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -5.575 -19.052 1.343 1.00 0.00 H new ATOM 1011 N GLU A 65 -9.846 -17.258 -0.967 1.00 0.00 N ATOM 1012 CA GLU A 65 -10.063 -16.442 -2.149 1.00 0.00 C ATOM 1013 C GLU A 65 -11.093 -15.349 -1.858 1.00 0.00 C ATOM 1014 O GLU A 65 -10.820 -14.166 -2.055 1.00 0.00 O ATOM 1015 CB GLU A 65 -10.498 -17.302 -3.337 1.00 0.00 C ATOM 1016 CG GLU A 65 -9.947 -16.743 -4.650 1.00 0.00 C ATOM 1017 CD GLU A 65 -11.075 -16.201 -5.531 1.00 0.00 C ATOM 1018 OE1 GLU A 65 -11.840 -15.356 -5.017 1.00 0.00 O ATOM 1019 OE2 GLU A 65 -11.146 -16.643 -6.698 1.00 0.00 O ATOM 0 H GLU A 65 -10.413 -18.105 -0.923 1.00 0.00 H new ATOM 0 HA GLU A 65 -9.120 -15.964 -2.414 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -10.148 -18.325 -3.198 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -11.586 -17.341 -3.383 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -9.231 -15.948 -4.439 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -9.407 -17.525 -5.184 1.00 0.00 H new ATOM 1026 N ARG A 66 -12.255 -15.784 -1.393 1.00 0.00 N ATOM 1027 CA ARG A 66 -13.327 -14.857 -1.072 1.00 0.00 C ATOM 1028 C ARG A 66 -12.920 -13.960 0.099 1.00 0.00 C ATOM 1029 O ARG A 66 -13.498 -12.892 0.297 1.00 0.00 O ATOM 1030 CB ARG A 66 -14.612 -15.605 -0.711 1.00 0.00 C ATOM 1031 CG ARG A 66 -14.585 -16.067 0.748 1.00 0.00 C ATOM 1032 CD ARG A 66 -15.088 -17.506 0.876 1.00 0.00 C ATOM 1033 NE ARG A 66 -16.233 -17.725 -0.037 1.00 0.00 N ATOM 1034 CZ ARG A 66 -16.757 -18.928 -0.309 1.00 0.00 C ATOM 1035 NH1 ARG A 66 -16.242 -20.027 0.259 1.00 0.00 N ATOM 1036 NH2 ARG A 66 -17.795 -19.032 -1.150 1.00 0.00 N ATOM 0 H ARG A 66 -12.478 -16.766 -1.231 1.00 0.00 H new ATOM 0 HA ARG A 66 -13.512 -14.245 -1.955 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -15.473 -14.957 -0.875 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -14.732 -16.467 -1.367 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -13.569 -15.997 1.137 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -15.204 -15.406 1.354 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -14.285 -18.203 0.639 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -15.389 -17.705 1.905 1.00 0.00 H new ATOM 0 HE ARG A 66 -16.649 -16.909 -0.487 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -15.451 -19.948 0.898 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -16.641 -20.943 0.052 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -18.186 -18.196 -1.583 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -18.194 -19.948 -1.357 1.00 0.00 H new ATOM 1050 N ILE A 67 -11.929 -14.427 0.844 1.00 0.00 N ATOM 1051 CA ILE A 67 -11.439 -13.680 1.990 1.00 0.00 C ATOM 1052 C ILE A 67 -10.428 -12.633 1.517 1.00 0.00 C ATOM 1053 O ILE A 67 -10.516 -11.466 1.893 1.00 0.00 O ATOM 1054 CB ILE A 67 -10.887 -14.631 3.053 1.00 0.00 C ATOM 1055 CG1 ILE A 67 -11.129 -14.082 4.461 1.00 0.00 C ATOM 1056 CG2 ILE A 67 -9.408 -14.934 2.803 1.00 0.00 C ATOM 1057 CD1 ILE A 67 -10.011 -13.123 4.875 1.00 0.00 C ATOM 0 H ILE A 67 -11.452 -15.313 0.677 1.00 0.00 H new ATOM 0 HA ILE A 67 -12.256 -13.141 2.470 1.00 0.00 H new ATOM 0 HB ILE A 67 -11.427 -15.575 2.979 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -12.088 -13.564 4.494 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -11.188 -14.906 5.172 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -9.040 -15.612 3.573 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -9.292 -15.399 1.824 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -8.836 -14.006 2.834 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -10.207 -12.747 5.879 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -9.057 -13.650 4.865 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -9.971 -12.287 4.176 1.00 0.00 H new ATOM 1069 N ILE A 68 -9.492 -13.090 0.698 1.00 0.00 N ATOM 1070 CA ILE A 68 -8.465 -12.207 0.170 1.00 0.00 C ATOM 1071 C ILE A 68 -9.128 -10.976 -0.452 1.00 0.00 C ATOM 1072 O ILE A 68 -8.555 -9.888 -0.442 1.00 0.00 O ATOM 1073 CB ILE A 68 -7.551 -12.966 -0.794 1.00 0.00 C ATOM 1074 CG1 ILE A 68 -6.225 -13.329 -0.121 1.00 0.00 C ATOM 1075 CG2 ILE A 68 -7.339 -12.176 -2.086 1.00 0.00 C ATOM 1076 CD1 ILE A 68 -6.449 -14.294 1.045 1.00 0.00 C ATOM 0 H ILE A 68 -9.423 -14.059 0.387 1.00 0.00 H new ATOM 0 HA ILE A 68 -7.819 -11.851 0.972 1.00 0.00 H new ATOM 0 HB ILE A 68 -8.042 -13.901 -1.065 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -5.555 -13.784 -0.851 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -5.736 -12.424 0.240 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -6.686 -12.738 -2.753 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -8.300 -12.011 -2.573 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -6.880 -11.215 -1.854 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -5.491 -14.536 1.506 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -7.100 -13.827 1.784 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -6.916 -15.208 0.677 1.00 0.00 H new ATOM 1088 N ASN A 69 -10.325 -11.191 -0.978 1.00 0.00 N ATOM 1089 CA ASN A 69 -11.071 -10.112 -1.603 1.00 0.00 C ATOM 1090 C ASN A 69 -11.417 -9.059 -0.549 1.00 0.00 C ATOM 1091 O ASN A 69 -11.803 -7.941 -0.886 1.00 0.00 O ATOM 1092 CB ASN A 69 -12.380 -10.625 -2.206 1.00 0.00 C ATOM 1093 CG ASN A 69 -13.238 -9.468 -2.722 1.00 0.00 C ATOM 1094 OD1 ASN A 69 -12.816 -8.664 -3.537 1.00 0.00 O ATOM 1095 ND2 ASN A 69 -14.462 -9.428 -2.203 1.00 0.00 N ATOM 0 H ASN A 69 -10.796 -12.096 -0.984 1.00 0.00 H new ATOM 0 HA ASN A 69 -10.452 -9.688 -2.393 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -12.163 -11.313 -3.023 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -12.935 -11.187 -1.455 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -15.111 -8.693 -2.483 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -14.752 -10.133 -1.525 1.00 0.00 H new ATOM 1102 N VAL A 70 -11.266 -9.453 0.707 1.00 0.00 N ATOM 1103 CA VAL A 70 -11.558 -8.558 1.813 1.00 0.00 C ATOM 1104 C VAL A 70 -10.414 -7.554 1.966 1.00 0.00 C ATOM 1105 O VAL A 70 -10.615 -6.450 2.471 1.00 0.00 O ATOM 1106 CB VAL A 70 -11.819 -9.365 3.086 1.00 0.00 C ATOM 1107 CG1 VAL A 70 -12.722 -10.567 2.798 1.00 0.00 C ATOM 1108 CG2 VAL A 70 -10.505 -9.809 3.733 1.00 0.00 C ATOM 0 H VAL A 70 -10.945 -10.381 0.983 1.00 0.00 H new ATOM 0 HA VAL A 70 -12.466 -7.989 1.614 1.00 0.00 H new ATOM 0 HB VAL A 70 -12.338 -8.717 3.792 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -12.892 -11.124 3.720 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -13.677 -10.219 2.403 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -12.242 -11.216 2.066 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -10.719 -10.381 4.636 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -9.947 -10.431 3.033 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -9.912 -8.932 3.991 1.00 0.00 H new ATOM 1118 N SER A 71 -9.238 -7.973 1.521 1.00 0.00 N ATOM 1119 CA SER A 71 -8.062 -7.124 1.602 1.00 0.00 C ATOM 1120 C SER A 71 -7.962 -6.246 0.353 1.00 0.00 C ATOM 1121 O SER A 71 -7.487 -5.113 0.422 1.00 0.00 O ATOM 1122 CB SER A 71 -6.790 -7.959 1.766 1.00 0.00 C ATOM 1123 OG SER A 71 -6.823 -8.756 2.947 1.00 0.00 O ATOM 0 H SER A 71 -9.075 -8.889 1.103 1.00 0.00 H new ATOM 0 HA SER A 71 -8.162 -6.486 2.480 1.00 0.00 H new ATOM 0 HB2 SER A 71 -6.665 -8.604 0.896 1.00 0.00 H new ATOM 0 HB3 SER A 71 -5.924 -7.298 1.799 1.00 0.00 H new ATOM 0 HG SER A 71 -5.966 -8.680 3.417 1.00 0.00 H new ATOM 1129 N ILE A 72 -8.419 -6.802 -0.759 1.00 0.00 N ATOM 1130 CA ILE A 72 -8.387 -6.083 -2.022 1.00 0.00 C ATOM 1131 C ILE A 72 -9.202 -4.795 -1.891 1.00 0.00 C ATOM 1132 O ILE A 72 -8.848 -3.771 -2.473 1.00 0.00 O ATOM 1133 CB ILE A 72 -8.849 -6.989 -3.165 1.00 0.00 C ATOM 1134 CG1 ILE A 72 -7.882 -8.158 -3.363 1.00 0.00 C ATOM 1135 CG2 ILE A 72 -9.050 -6.188 -4.453 1.00 0.00 C ATOM 1136 CD1 ILE A 72 -8.471 -9.201 -4.316 1.00 0.00 C ATOM 0 H ILE A 72 -8.813 -7.741 -0.812 1.00 0.00 H new ATOM 0 HA ILE A 72 -7.366 -5.791 -2.269 1.00 0.00 H new ATOM 0 HB ILE A 72 -9.816 -7.413 -2.895 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -6.937 -7.789 -3.761 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -7.664 -8.621 -2.401 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -9.378 -6.856 -5.249 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -9.806 -5.420 -4.289 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -8.110 -5.717 -4.739 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -7.764 -10.021 -4.440 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -9.404 -9.585 -3.903 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -8.665 -8.740 -5.285 1.00 0.00 H new ATOM 1148 N LYS A 73 -10.277 -4.888 -1.123 1.00 0.00 N ATOM 1149 CA LYS A 73 -11.145 -3.742 -0.908 1.00 0.00 C ATOM 1150 C LYS A 73 -10.323 -2.586 -0.334 1.00 0.00 C ATOM 1151 O LYS A 73 -10.091 -1.588 -1.014 1.00 0.00 O ATOM 1152 CB LYS A 73 -12.344 -4.133 -0.042 1.00 0.00 C ATOM 1153 CG LYS A 73 -13.660 -3.750 -0.723 1.00 0.00 C ATOM 1154 CD LYS A 73 -14.762 -4.758 -0.392 1.00 0.00 C ATOM 1155 CE LYS A 73 -15.746 -4.898 -1.556 1.00 0.00 C ATOM 1156 NZ LYS A 73 -17.090 -4.424 -1.159 1.00 0.00 N ATOM 0 H LYS A 73 -10.567 -5.739 -0.642 1.00 0.00 H new ATOM 0 HA LYS A 73 -11.563 -3.398 -1.854 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -12.327 -5.206 0.146 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -12.274 -3.638 0.927 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -13.964 -2.754 -0.400 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -13.515 -3.705 -1.802 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -14.317 -5.728 -0.169 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -15.295 -4.438 0.503 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -15.390 -4.324 -2.412 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -15.800 -5.940 -1.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -17.745 -4.526 -1.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -17.434 -4.989 -0.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -17.037 -3.423 -0.881 1.00 0.00 H new ATOM 1170 N LYS A 74 -9.906 -2.760 0.911 1.00 0.00 N ATOM 1171 CA LYS A 74 -9.115 -1.743 1.584 1.00 0.00 C ATOM 1172 C LYS A 74 -7.819 -1.513 0.805 1.00 0.00 C ATOM 1173 O LYS A 74 -7.460 -0.373 0.513 1.00 0.00 O ATOM 1174 CB LYS A 74 -8.893 -2.121 3.050 1.00 0.00 C ATOM 1175 CG LYS A 74 -9.932 -1.452 3.952 1.00 0.00 C ATOM 1176 CD LYS A 74 -11.103 -2.395 4.233 1.00 0.00 C ATOM 1177 CE LYS A 74 -12.437 -1.648 4.168 1.00 0.00 C ATOM 1178 NZ LYS A 74 -13.372 -2.335 3.250 1.00 0.00 N ATOM 0 H LYS A 74 -10.101 -3.590 1.472 1.00 0.00 H new ATOM 0 HA LYS A 74 -9.650 -0.793 1.601 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -8.951 -3.204 3.163 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -7.891 -1.822 3.359 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -9.466 -1.155 4.892 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -10.299 -0.542 3.477 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -11.102 -3.208 3.507 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -10.983 -2.847 5.218 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -12.875 -1.587 5.164 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -12.272 -0.625 3.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -14.336 -1.977 3.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -13.089 -2.153 2.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -13.349 -3.359 3.433 1.00 0.00 H new ATOM 1192 N LEU A 75 -7.152 -2.614 0.490 1.00 0.00 N ATOM 1193 CA LEU A 75 -5.903 -2.546 -0.249 1.00 0.00 C ATOM 1194 C LEU A 75 -6.012 -1.468 -1.329 1.00 0.00 C ATOM 1195 O LEU A 75 -5.079 -0.693 -1.534 1.00 0.00 O ATOM 1196 CB LEU A 75 -5.528 -3.926 -0.794 1.00 0.00 C ATOM 1197 CG LEU A 75 -4.329 -3.968 -1.744 1.00 0.00 C ATOM 1198 CD1 LEU A 75 -3.013 -3.874 -0.971 1.00 0.00 C ATOM 1199 CD2 LEU A 75 -4.381 -5.209 -2.638 1.00 0.00 C ATOM 0 H LEU A 75 -7.453 -3.558 0.733 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.085 -2.255 0.411 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -5.321 -4.584 0.050 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -6.393 -4.337 -1.314 1.00 0.00 H new ATOM 0 HG LEU A 75 -4.381 -3.097 -2.398 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -2.177 -3.906 -1.670 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.984 -2.938 -0.414 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -2.938 -4.711 -0.277 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -3.518 -5.214 -3.303 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -4.367 -6.105 -2.018 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.296 -5.192 -3.231 1.00 0.00 H new ATOM 1211 N LYS A 76 -7.160 -1.452 -1.990 1.00 0.00 N ATOM 1212 CA LYS A 76 -7.403 -0.481 -3.044 1.00 0.00 C ATOM 1213 C LYS A 76 -7.696 0.883 -2.416 1.00 0.00 C ATOM 1214 O LYS A 76 -8.750 1.468 -2.658 1.00 0.00 O ATOM 1215 CB LYS A 76 -8.505 -0.975 -3.983 1.00 0.00 C ATOM 1216 CG LYS A 76 -7.938 -1.313 -5.364 1.00 0.00 C ATOM 1217 CD LYS A 76 -9.059 -1.655 -6.348 1.00 0.00 C ATOM 1218 CE LYS A 76 -8.536 -2.526 -7.492 1.00 0.00 C ATOM 1219 NZ LYS A 76 -8.199 -1.691 -8.666 1.00 0.00 N ATOM 0 H LYS A 76 -7.932 -2.096 -1.816 1.00 0.00 H new ATOM 0 HA LYS A 76 -6.516 -0.363 -3.666 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -8.983 -1.857 -3.556 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -9.275 -0.210 -4.080 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -7.363 -0.468 -5.742 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -7.251 -2.155 -5.283 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -9.860 -2.177 -5.825 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -9.487 -0.737 -6.751 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -7.654 -3.076 -7.164 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -9.288 -3.265 -7.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -7.846 -2.297 -9.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -9.049 -1.185 -8.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -7.465 -1.002 -8.403 1.00 0.00 H new ATOM 1233 N ARG A 77 -6.743 1.350 -1.623 1.00 0.00 N ATOM 1234 CA ARG A 77 -6.885 2.635 -0.959 1.00 0.00 C ATOM 1235 C ARG A 77 -6.249 3.742 -1.802 1.00 0.00 C ATOM 1236 O ARG A 77 -5.069 3.667 -2.141 1.00 0.00 O ATOM 1237 CB ARG A 77 -6.230 2.616 0.424 1.00 0.00 C ATOM 1238 CG ARG A 77 -7.285 2.529 1.529 1.00 0.00 C ATOM 1239 CD ARG A 77 -8.068 3.839 1.644 1.00 0.00 C ATOM 1240 NE ARG A 77 -9.252 3.800 0.757 1.00 0.00 N ATOM 1241 CZ ARG A 77 -9.997 4.871 0.451 1.00 0.00 C ATOM 1242 NH1 ARG A 77 -9.685 6.071 0.960 1.00 0.00 N ATOM 1243 NH2 ARG A 77 -11.053 4.742 -0.363 1.00 0.00 N ATOM 0 H ARG A 77 -5.870 0.862 -1.425 1.00 0.00 H new ATOM 0 HA ARG A 77 -7.951 2.831 -0.841 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -5.551 1.767 0.497 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -5.630 3.516 0.559 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -7.971 1.709 1.318 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -6.803 2.305 2.480 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -8.381 3.996 2.676 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -7.429 4.679 1.374 1.00 0.00 H new ATOM 0 HE ARG A 77 -9.518 2.902 0.353 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -8.881 6.169 1.580 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -10.252 6.887 0.727 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -11.290 3.829 -0.750 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -11.620 5.557 -0.596 1.00 0.00 H new ATOM 1257 N LYS A 78 -7.058 4.742 -2.115 1.00 0.00 N ATOM 1258 CA LYS A 78 -6.589 5.863 -2.912 1.00 0.00 C ATOM 1259 C LYS A 78 -5.961 6.911 -1.991 1.00 0.00 C ATOM 1260 O LYS A 78 -6.290 6.980 -0.808 1.00 0.00 O ATOM 1261 CB LYS A 78 -7.720 6.410 -3.786 1.00 0.00 C ATOM 1262 CG LYS A 78 -7.684 5.788 -5.183 1.00 0.00 C ATOM 1263 CD LYS A 78 -7.748 6.867 -6.266 1.00 0.00 C ATOM 1264 CE LYS A 78 -8.807 6.527 -7.316 1.00 0.00 C ATOM 1265 NZ LYS A 78 -9.530 7.748 -7.737 1.00 0.00 N ATOM 0 H LYS A 78 -8.036 4.800 -1.831 1.00 0.00 H new ATOM 0 HA LYS A 78 -5.811 5.539 -3.604 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -8.681 6.201 -3.316 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -7.632 7.494 -3.864 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -6.772 5.203 -5.301 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -8.521 5.100 -5.300 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -7.978 7.831 -5.811 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -6.774 6.965 -6.745 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -8.334 6.061 -8.180 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -9.512 5.802 -6.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -10.245 7.499 -8.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -9.997 8.176 -6.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -8.856 8.427 -8.145 1.00 0.00 H new ATOM 1279 N PRO A 79 -5.045 7.722 -2.584 1.00 0.00 N ATOM 1280 CA PRO A 79 -4.368 8.763 -1.830 1.00 0.00 C ATOM 1281 C PRO A 79 -5.301 9.948 -1.572 1.00 0.00 C ATOM 1282 O PRO A 79 -6.416 9.988 -2.088 1.00 0.00 O ATOM 1283 CB PRO A 79 -3.156 9.133 -2.669 1.00 0.00 C ATOM 1284 CG PRO A 79 -3.449 8.623 -4.071 1.00 0.00 C ATOM 1285 CD PRO A 79 -4.630 7.670 -3.983 1.00 0.00 C ATOM 0 HA PRO A 79 -4.062 8.432 -0.838 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -2.997 10.211 -2.671 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -2.250 8.678 -2.269 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -3.677 9.453 -4.739 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -2.577 8.114 -4.482 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -5.438 7.978 -4.647 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -4.346 6.659 -4.274 1.00 0.00 H new ATOM 1628 N LYS A 102 7.898 -4.749 -12.388 1.00 0.00 N ATOM 1629 CA LYS A 102 6.908 -5.619 -11.776 1.00 0.00 C ATOM 1630 C LYS A 102 7.517 -6.289 -10.543 1.00 0.00 C ATOM 1631 O LYS A 102 8.671 -6.035 -10.199 1.00 0.00 O ATOM 1632 CB LYS A 102 6.356 -6.609 -12.804 1.00 0.00 C ATOM 1633 CG LYS A 102 5.906 -5.885 -14.075 1.00 0.00 C ATOM 1634 CD LYS A 102 4.799 -4.876 -13.768 1.00 0.00 C ATOM 1635 CE LYS A 102 5.354 -3.451 -13.715 1.00 0.00 C ATOM 1636 NZ LYS A 102 4.776 -2.629 -14.802 1.00 0.00 N ATOM 0 HA LYS A 102 6.051 -5.039 -11.434 1.00 0.00 H new ATOM 0 HB2 LYS A 102 7.120 -7.346 -13.052 1.00 0.00 H new ATOM 0 HB3 LYS A 102 5.515 -7.154 -12.375 1.00 0.00 H new ATOM 0 HG2 LYS A 102 6.756 -5.372 -14.526 1.00 0.00 H new ATOM 0 HG3 LYS A 102 5.549 -6.612 -14.805 1.00 0.00 H new ATOM 0 HD2 LYS A 102 4.023 -4.939 -14.531 1.00 0.00 H new ATOM 0 HD3 LYS A 102 4.331 -5.123 -12.815 1.00 0.00 H new ATOM 0 HE2 LYS A 102 5.125 -3.001 -12.749 1.00 0.00 H new ATOM 0 HE3 LYS A 102 6.440 -3.474 -13.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 5.163 -1.665 -14.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 5.016 -3.051 -15.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 3.742 -2.593 -14.697 1.00 0.00 H new ATOM 1650 N LYS A 103 6.714 -7.132 -9.910 1.00 0.00 N ATOM 1651 CA LYS A 103 7.160 -7.841 -8.722 1.00 0.00 C ATOM 1652 C LYS A 103 6.063 -8.806 -8.267 1.00 0.00 C ATOM 1653 O LYS A 103 4.930 -8.731 -8.742 1.00 0.00 O ATOM 1654 CB LYS A 103 7.595 -6.851 -7.639 1.00 0.00 C ATOM 1655 CG LYS A 103 9.107 -6.919 -7.411 1.00 0.00 C ATOM 1656 CD LYS A 103 9.502 -6.177 -6.132 1.00 0.00 C ATOM 1657 CE LYS A 103 10.947 -5.682 -6.209 1.00 0.00 C ATOM 1658 NZ LYS A 103 11.891 -6.808 -6.026 1.00 0.00 N ATOM 0 H LYS A 103 5.758 -7.340 -10.197 1.00 0.00 H new ATOM 0 HA LYS A 103 8.042 -8.442 -8.946 1.00 0.00 H new ATOM 0 HB2 LYS A 103 7.313 -5.840 -7.931 1.00 0.00 H new ATOM 0 HB3 LYS A 103 7.073 -7.072 -6.708 1.00 0.00 H new ATOM 0 HG2 LYS A 103 9.422 -7.960 -7.344 1.00 0.00 H new ATOM 0 HG3 LYS A 103 9.627 -6.483 -8.264 1.00 0.00 H new ATOM 0 HD2 LYS A 103 8.832 -5.331 -5.976 1.00 0.00 H new ATOM 0 HD3 LYS A 103 9.386 -6.838 -5.273 1.00 0.00 H new ATOM 0 HE2 LYS A 103 11.123 -5.205 -7.173 1.00 0.00 H new ATOM 0 HE3 LYS A 103 11.120 -4.926 -5.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 12.862 -6.440 -5.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 11.656 -7.319 -5.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 11.819 -7.457 -6.836 1.00 0.00 H new ATOM 1672 N PRO A 104 6.447 -9.712 -7.329 1.00 0.00 N ATOM 1673 CA PRO A 104 5.509 -10.690 -6.805 1.00 0.00 C ATOM 1674 C PRO A 104 4.529 -10.041 -5.826 1.00 0.00 C ATOM 1675 O PRO A 104 4.667 -8.865 -5.493 1.00 0.00 O ATOM 1676 CB PRO A 104 6.375 -11.759 -6.158 1.00 0.00 C ATOM 1677 CG PRO A 104 7.734 -11.114 -5.934 1.00 0.00 C ATOM 1678 CD PRO A 104 7.780 -9.829 -6.745 1.00 0.00 C ATOM 0 HA PRO A 104 4.877 -11.124 -7.580 1.00 0.00 H new ATOM 0 HB2 PRO A 104 5.942 -12.095 -5.216 1.00 0.00 H new ATOM 0 HB3 PRO A 104 6.460 -12.635 -6.801 1.00 0.00 H new ATOM 0 HG2 PRO A 104 7.886 -10.903 -4.876 1.00 0.00 H new ATOM 0 HG3 PRO A 104 8.532 -11.789 -6.243 1.00 0.00 H new ATOM 0 HD2 PRO A 104 8.013 -8.971 -6.115 1.00 0.00 H new ATOM 0 HD3 PRO A 104 8.548 -9.875 -7.517 1.00 0.00 H new ATOM 1686 N PRO A 105 3.536 -10.856 -5.381 1.00 0.00 N ATOM 1687 CA PRO A 105 2.534 -10.374 -4.447 1.00 0.00 C ATOM 1688 C PRO A 105 3.113 -10.252 -3.036 1.00 0.00 C ATOM 1689 O PRO A 105 3.101 -9.172 -2.447 1.00 0.00 O ATOM 1690 CB PRO A 105 1.396 -11.378 -4.537 1.00 0.00 C ATOM 1691 CG PRO A 105 1.992 -12.627 -5.165 1.00 0.00 C ATOM 1692 CD PRO A 105 3.342 -12.255 -5.754 1.00 0.00 C ATOM 0 HA PRO A 105 2.182 -9.371 -4.689 1.00 0.00 H new ATOM 0 HB2 PRO A 105 0.987 -11.594 -3.550 1.00 0.00 H new ATOM 0 HB3 PRO A 105 0.578 -10.988 -5.143 1.00 0.00 H new ATOM 0 HG2 PRO A 105 2.105 -13.413 -4.418 1.00 0.00 H new ATOM 0 HG3 PRO A 105 1.332 -13.017 -5.940 1.00 0.00 H new ATOM 0 HD2 PRO A 105 4.136 -12.885 -5.354 1.00 0.00 H new ATOM 0 HD3 PRO A 105 3.350 -12.381 -6.837 1.00 0.00 H new ATOM 1700 N LYS A 106 3.606 -11.374 -2.534 1.00 0.00 N ATOM 1701 CA LYS A 106 4.189 -11.407 -1.203 1.00 0.00 C ATOM 1702 C LYS A 106 4.978 -10.118 -0.966 1.00 0.00 C ATOM 1703 O LYS A 106 4.903 -9.529 0.112 1.00 0.00 O ATOM 1704 CB LYS A 106 5.016 -12.680 -1.011 1.00 0.00 C ATOM 1705 CG LYS A 106 5.821 -13.005 -2.271 1.00 0.00 C ATOM 1706 CD LYS A 106 7.296 -13.231 -1.936 1.00 0.00 C ATOM 1707 CE LYS A 106 7.652 -14.718 -2.000 1.00 0.00 C ATOM 1708 NZ LYS A 106 8.264 -15.160 -0.727 1.00 0.00 N ATOM 0 H LYS A 106 3.614 -12.268 -3.025 1.00 0.00 H new ATOM 0 HA LYS A 106 3.407 -11.447 -0.445 1.00 0.00 H new ATOM 0 HB2 LYS A 106 5.692 -12.555 -0.165 1.00 0.00 H new ATOM 0 HB3 LYS A 106 4.356 -13.514 -0.771 1.00 0.00 H new ATOM 0 HG2 LYS A 106 5.412 -13.896 -2.748 1.00 0.00 H new ATOM 0 HG3 LYS A 106 5.728 -12.188 -2.987 1.00 0.00 H new ATOM 0 HD2 LYS A 106 7.921 -12.674 -2.634 1.00 0.00 H new ATOM 0 HD3 LYS A 106 7.509 -12.845 -0.939 1.00 0.00 H new ATOM 0 HE2 LYS A 106 6.756 -15.304 -2.202 1.00 0.00 H new ATOM 0 HE3 LYS A 106 8.343 -14.897 -2.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 8.499 -16.171 -0.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 9.131 -14.613 -0.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 7.593 -15.007 0.052 1.00 0.00 H new ATOM 1722 N GLU A 107 5.719 -9.718 -1.989 1.00 0.00 N ATOM 1723 CA GLU A 107 6.522 -8.510 -1.905 1.00 0.00 C ATOM 1724 C GLU A 107 5.636 -7.272 -2.055 1.00 0.00 C ATOM 1725 O GLU A 107 5.567 -6.440 -1.152 1.00 0.00 O ATOM 1726 CB GLU A 107 7.635 -8.518 -2.954 1.00 0.00 C ATOM 1727 CG GLU A 107 8.799 -9.408 -2.512 1.00 0.00 C ATOM 1728 CD GLU A 107 10.043 -8.572 -2.206 1.00 0.00 C ATOM 1729 OE1 GLU A 107 10.494 -7.865 -3.133 1.00 0.00 O ATOM 1730 OE2 GLU A 107 10.516 -8.659 -1.053 1.00 0.00 O ATOM 0 H GLU A 107 5.780 -10.209 -2.881 1.00 0.00 H new ATOM 0 HA GLU A 107 6.994 -8.478 -0.923 1.00 0.00 H new ATOM 0 HB2 GLU A 107 7.240 -8.875 -3.905 1.00 0.00 H new ATOM 0 HB3 GLU A 107 7.992 -7.501 -3.118 1.00 0.00 H new ATOM 0 HG2 GLU A 107 8.512 -9.976 -1.627 1.00 0.00 H new ATOM 0 HG3 GLU A 107 9.026 -10.131 -3.295 1.00 0.00 H new ATOM 1737 N PHE A 108 4.979 -7.189 -3.203 1.00 0.00 N ATOM 1738 CA PHE A 108 4.100 -6.067 -3.483 1.00 0.00 C ATOM 1739 C PHE A 108 3.309 -5.666 -2.236 1.00 0.00 C ATOM 1740 O PHE A 108 2.991 -4.492 -2.049 1.00 0.00 O ATOM 1741 CB PHE A 108 3.122 -6.524 -4.567 1.00 0.00 C ATOM 1742 CG PHE A 108 1.797 -5.760 -4.572 1.00 0.00 C ATOM 1743 CD1 PHE A 108 1.783 -4.420 -4.342 1.00 0.00 C ATOM 1744 CD2 PHE A 108 0.632 -6.422 -4.807 1.00 0.00 C ATOM 1745 CE1 PHE A 108 0.553 -3.711 -4.346 1.00 0.00 C ATOM 1746 CE2 PHE A 108 -0.599 -5.713 -4.811 1.00 0.00 C ATOM 1747 CZ PHE A 108 -0.612 -4.372 -4.580 1.00 0.00 C ATOM 0 H PHE A 108 5.038 -7.881 -3.950 1.00 0.00 H new ATOM 0 HA PHE A 108 4.687 -5.205 -3.802 1.00 0.00 H new ATOM 0 HB2 PHE A 108 3.598 -6.412 -5.541 1.00 0.00 H new ATOM 0 HB3 PHE A 108 2.917 -7.586 -4.432 1.00 0.00 H new ATOM 0 HD1 PHE A 108 2.708 -3.895 -4.156 1.00 0.00 H new ATOM 0 HD2 PHE A 108 0.643 -7.486 -4.990 1.00 0.00 H new ATOM 0 HE1 PHE A 108 0.543 -2.647 -4.163 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -1.524 -6.238 -4.997 1.00 0.00 H new ATOM 0 HZ PHE A 108 -1.548 -3.833 -4.583 1.00 0.00 H new ATOM 1757 N LEU A 109 3.014 -6.663 -1.415 1.00 0.00 N ATOM 1758 CA LEU A 109 2.267 -6.428 -0.191 1.00 0.00 C ATOM 1759 C LEU A 109 3.231 -6.000 0.916 1.00 0.00 C ATOM 1760 O LEU A 109 3.015 -4.983 1.573 1.00 0.00 O ATOM 1761 CB LEU A 109 1.425 -7.655 0.166 1.00 0.00 C ATOM 1762 CG LEU A 109 0.065 -7.760 -0.527 1.00 0.00 C ATOM 1763 CD1 LEU A 109 -0.703 -6.441 -0.429 1.00 0.00 C ATOM 1764 CD2 LEU A 109 0.222 -8.227 -1.975 1.00 0.00 C ATOM 0 H LEU A 109 3.279 -7.635 -1.573 1.00 0.00 H new ATOM 0 HA LEU A 109 1.558 -5.612 -0.328 1.00 0.00 H new ATOM 0 HB2 LEU A 109 2.002 -8.549 -0.072 1.00 0.00 H new ATOM 0 HB3 LEU A 109 1.263 -7.658 1.244 1.00 0.00 H new ATOM 0 HG LEU A 109 -0.526 -8.515 -0.008 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -1.666 -6.543 -0.929 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -0.864 -6.191 0.620 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -0.127 -5.648 -0.907 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -0.760 -8.293 -2.444 1.00 0.00 H new ATOM 0 HD22 LEU A 109 0.839 -7.514 -2.522 1.00 0.00 H new ATOM 0 HD23 LEU A 109 0.699 -9.207 -1.992 1.00 0.00 H new ATOM 1776 N GLU A 110 4.274 -6.798 1.090 1.00 0.00 N ATOM 1777 CA GLU A 110 5.273 -6.515 2.107 1.00 0.00 C ATOM 1778 C GLU A 110 5.898 -5.139 1.868 1.00 0.00 C ATOM 1779 O GLU A 110 6.406 -4.514 2.798 1.00 0.00 O ATOM 1780 CB GLU A 110 6.345 -7.605 2.141 1.00 0.00 C ATOM 1781 CG GLU A 110 7.405 -7.299 3.201 1.00 0.00 C ATOM 1782 CD GLU A 110 7.610 -8.494 4.134 1.00 0.00 C ATOM 1783 OE1 GLU A 110 8.258 -9.463 3.680 1.00 0.00 O ATOM 1784 OE2 GLU A 110 7.115 -8.413 5.278 1.00 0.00 O ATOM 0 H GLU A 110 4.449 -7.641 0.543 1.00 0.00 H new ATOM 0 HA GLU A 110 4.781 -6.505 3.079 1.00 0.00 H new ATOM 0 HB2 GLU A 110 5.882 -8.569 2.352 1.00 0.00 H new ATOM 0 HB3 GLU A 110 6.817 -7.686 1.162 1.00 0.00 H new ATOM 0 HG2 GLU A 110 8.348 -7.047 2.715 1.00 0.00 H new ATOM 0 HG3 GLU A 110 7.102 -6.428 3.782 1.00 0.00 H new ATOM 1791 N ARG A 111 5.840 -4.707 0.617 1.00 0.00 N ATOM 1792 CA ARG A 111 6.394 -3.416 0.244 1.00 0.00 C ATOM 1793 C ARG A 111 5.349 -2.315 0.436 1.00 0.00 C ATOM 1794 O ARG A 111 5.623 -1.298 1.071 1.00 0.00 O ATOM 1795 CB ARG A 111 6.862 -3.418 -1.213 1.00 0.00 C ATOM 1796 CG ARG A 111 8.372 -3.192 -1.303 1.00 0.00 C ATOM 1797 CD ARG A 111 9.141 -4.431 -0.841 1.00 0.00 C ATOM 1798 NE ARG A 111 10.519 -4.056 -0.453 1.00 0.00 N ATOM 1799 CZ ARG A 111 11.361 -4.866 0.204 1.00 0.00 C ATOM 1800 NH1 ARG A 111 10.971 -6.100 0.549 1.00 0.00 N ATOM 1801 NH2 ARG A 111 12.593 -4.441 0.515 1.00 0.00 N ATOM 0 H ARG A 111 5.418 -5.228 -0.152 1.00 0.00 H new ATOM 0 HA ARG A 111 7.252 -3.224 0.889 1.00 0.00 H new ATOM 0 HB2 ARG A 111 6.604 -4.368 -1.680 1.00 0.00 H new ATOM 0 HB3 ARG A 111 6.340 -2.638 -1.768 1.00 0.00 H new ATOM 0 HG2 ARG A 111 8.647 -2.951 -2.330 1.00 0.00 H new ATOM 0 HG3 ARG A 111 8.652 -2.336 -0.689 1.00 0.00 H new ATOM 0 HD2 ARG A 111 8.629 -4.893 0.004 1.00 0.00 H new ATOM 0 HD3 ARG A 111 9.168 -5.171 -1.641 1.00 0.00 H new ATOM 0 HE ARG A 111 10.849 -3.123 -0.701 1.00 0.00 H new ATOM 0 HH11 ARG A 111 10.033 -6.423 0.312 1.00 0.00 H new ATOM 0 HH12 ARG A 111 11.612 -6.716 1.049 1.00 0.00 H new ATOM 0 HH21 ARG A 111 12.890 -3.501 0.252 1.00 0.00 H new ATOM 0 HH22 ARG A 111 13.234 -5.057 1.015 1.00 0.00 H new ATOM 1815 N PHE A 112 4.173 -2.555 -0.125 1.00 0.00 N ATOM 1816 CA PHE A 112 3.086 -1.596 -0.024 1.00 0.00 C ATOM 1817 C PHE A 112 2.802 -1.241 1.437 1.00 0.00 C ATOM 1818 O PHE A 112 2.859 -0.073 1.818 1.00 0.00 O ATOM 1819 CB PHE A 112 1.846 -2.260 -0.625 1.00 0.00 C ATOM 1820 CG PHE A 112 0.555 -1.463 -0.428 1.00 0.00 C ATOM 1821 CD1 PHE A 112 0.503 -0.153 -0.791 1.00 0.00 C ATOM 1822 CD2 PHE A 112 -0.540 -2.063 0.110 1.00 0.00 C ATOM 1823 CE1 PHE A 112 -0.695 0.587 -0.608 1.00 0.00 C ATOM 1824 CE2 PHE A 112 -1.738 -1.323 0.293 1.00 0.00 C ATOM 1825 CZ PHE A 112 -1.790 -0.013 -0.070 1.00 0.00 C ATOM 0 H PHE A 112 3.949 -3.400 -0.651 1.00 0.00 H new ATOM 0 HA PHE A 112 3.350 -0.678 -0.548 1.00 0.00 H new ATOM 0 HB2 PHE A 112 2.008 -2.410 -1.692 1.00 0.00 H new ATOM 0 HB3 PHE A 112 1.723 -3.247 -0.179 1.00 0.00 H new ATOM 0 HD1 PHE A 112 1.373 0.324 -1.218 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -0.499 -3.103 0.398 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -0.736 1.627 -0.896 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -2.608 -1.800 0.720 1.00 0.00 H new ATOM 0 HZ PHE A 112 -2.701 0.550 0.069 1.00 0.00 H new ATOM 1835 N LYS A 113 2.502 -2.271 2.215 1.00 0.00 N ATOM 1836 CA LYS A 113 2.209 -2.082 3.626 1.00 0.00 C ATOM 1837 C LYS A 113 3.353 -1.305 4.280 1.00 0.00 C ATOM 1838 O LYS A 113 3.119 -0.320 4.978 1.00 0.00 O ATOM 1839 CB LYS A 113 1.915 -3.426 4.296 1.00 0.00 C ATOM 1840 CG LYS A 113 2.255 -3.380 5.787 1.00 0.00 C ATOM 1841 CD LYS A 113 3.585 -4.084 6.068 1.00 0.00 C ATOM 1842 CE LYS A 113 4.350 -3.382 7.192 1.00 0.00 C ATOM 1843 NZ LYS A 113 4.784 -4.361 8.213 1.00 0.00 N ATOM 0 H LYS A 113 2.456 -3.238 1.895 1.00 0.00 H new ATOM 0 HA LYS A 113 1.306 -1.485 3.752 1.00 0.00 H new ATOM 0 HB2 LYS A 113 0.863 -3.679 4.167 1.00 0.00 H new ATOM 0 HB3 LYS A 113 2.493 -4.213 3.811 1.00 0.00 H new ATOM 0 HG2 LYS A 113 2.311 -2.343 6.119 1.00 0.00 H new ATOM 0 HG3 LYS A 113 1.459 -3.856 6.360 1.00 0.00 H new ATOM 0 HD2 LYS A 113 3.400 -5.123 6.343 1.00 0.00 H new ATOM 0 HD3 LYS A 113 4.192 -4.097 5.163 1.00 0.00 H new ATOM 0 HE2 LYS A 113 5.218 -2.866 6.782 1.00 0.00 H new ATOM 0 HE3 LYS A 113 3.717 -2.624 7.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 5.302 -3.868 8.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 3.951 -4.835 8.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 5.405 -5.069 7.773 1.00 0.00 H new ATOM 1857 N SER A 114 4.565 -1.778 4.032 1.00 0.00 N ATOM 1858 CA SER A 114 5.746 -1.140 4.588 1.00 0.00 C ATOM 1859 C SER A 114 5.747 0.350 4.244 1.00 0.00 C ATOM 1860 O SER A 114 5.884 1.195 5.127 1.00 0.00 O ATOM 1861 CB SER A 114 7.025 -1.805 4.074 1.00 0.00 C ATOM 1862 OG SER A 114 8.196 -1.138 4.537 1.00 0.00 O ATOM 0 H SER A 114 4.755 -2.596 3.453 1.00 0.00 H new ATOM 0 HA SER A 114 5.719 -1.256 5.672 1.00 0.00 H new ATOM 0 HB2 SER A 114 7.048 -2.845 4.398 1.00 0.00 H new ATOM 0 HB3 SER A 114 7.018 -1.811 2.984 1.00 0.00 H new ATOM 0 HG SER A 114 8.991 -1.593 4.189 1.00 0.00 H new ATOM 1868 N LEU A 115 5.593 0.628 2.957 1.00 0.00 N ATOM 1869 CA LEU A 115 5.574 2.002 2.485 1.00 0.00 C ATOM 1870 C LEU A 115 4.369 2.727 3.087 1.00 0.00 C ATOM 1871 O LEU A 115 4.480 3.877 3.511 1.00 0.00 O ATOM 1872 CB LEU A 115 5.616 2.043 0.956 1.00 0.00 C ATOM 1873 CG LEU A 115 5.683 3.436 0.325 1.00 0.00 C ATOM 1874 CD1 LEU A 115 4.439 4.255 0.672 1.00 0.00 C ATOM 1875 CD2 LEU A 115 6.973 4.156 0.722 1.00 0.00 C ATOM 0 H LEU A 115 5.480 -0.075 2.227 1.00 0.00 H new ATOM 0 HA LEU A 115 6.465 2.533 2.820 1.00 0.00 H new ATOM 0 HB2 LEU A 115 6.481 1.472 0.620 1.00 0.00 H new ATOM 0 HB3 LEU A 115 4.731 1.535 0.574 1.00 0.00 H new ATOM 0 HG LEU A 115 5.700 3.320 -0.759 1.00 0.00 H new ATOM 0 HD11 LEU A 115 4.512 5.240 0.211 1.00 0.00 H new ATOM 0 HD12 LEU A 115 3.551 3.745 0.298 1.00 0.00 H new ATOM 0 HD13 LEU A 115 4.366 4.365 1.754 1.00 0.00 H new ATOM 0 HD21 LEU A 115 6.996 5.143 0.260 1.00 0.00 H new ATOM 0 HD22 LEU A 115 7.012 4.261 1.806 1.00 0.00 H new ATOM 0 HD23 LEU A 115 7.832 3.577 0.383 1.00 0.00 H new ATOM 1887 N LEU A 116 3.245 2.025 3.107 1.00 0.00 N ATOM 1888 CA LEU A 116 2.021 2.588 3.650 1.00 0.00 C ATOM 1889 C LEU A 116 2.197 2.829 5.151 1.00 0.00 C ATOM 1890 O LEU A 116 1.592 3.741 5.712 1.00 0.00 O ATOM 1891 CB LEU A 116 0.824 1.699 3.307 1.00 0.00 C ATOM 1892 CG LEU A 116 -0.373 1.791 4.255 1.00 0.00 C ATOM 1893 CD1 LEU A 116 -0.026 1.225 5.633 1.00 0.00 C ATOM 1894 CD2 LEU A 116 -0.897 3.226 4.339 1.00 0.00 C ATOM 0 H LEU A 116 3.157 1.071 2.756 1.00 0.00 H new ATOM 0 HA LEU A 116 1.812 3.555 3.193 1.00 0.00 H new ATOM 0 HB2 LEU A 116 0.486 1.951 2.302 1.00 0.00 H new ATOM 0 HB3 LEU A 116 1.162 0.663 3.280 1.00 0.00 H new ATOM 0 HG LEU A 116 -1.178 1.178 3.849 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -0.894 1.303 6.287 1.00 0.00 H new ATOM 0 HD12 LEU A 116 0.262 0.178 5.534 1.00 0.00 H new ATOM 0 HD13 LEU A 116 0.802 1.790 6.060 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -1.748 3.263 5.019 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -0.108 3.881 4.709 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -1.209 3.558 3.349 1.00 0.00 H new ATOM 1906 N GLN A 117 3.029 1.996 5.758 1.00 0.00 N ATOM 1907 CA GLN A 117 3.293 2.107 7.182 1.00 0.00 C ATOM 1908 C GLN A 117 4.581 2.896 7.423 1.00 0.00 C ATOM 1909 O GLN A 117 4.937 3.176 8.567 1.00 0.00 O ATOM 1910 CB GLN A 117 3.366 0.725 7.836 1.00 0.00 C ATOM 1911 CG GLN A 117 4.816 0.249 7.950 1.00 0.00 C ATOM 1912 CD GLN A 117 5.361 0.487 9.360 1.00 0.00 C ATOM 1913 OE1 GLN A 117 4.917 1.360 10.086 1.00 0.00 O ATOM 1914 NE2 GLN A 117 6.347 -0.337 9.704 1.00 0.00 N ATOM 0 H GLN A 117 3.529 1.241 5.289 1.00 0.00 H new ATOM 0 HA GLN A 117 2.467 2.648 7.644 1.00 0.00 H new ATOM 0 HB2 GLN A 117 2.913 0.763 8.827 1.00 0.00 H new ATOM 0 HB3 GLN A 117 2.790 0.010 7.249 1.00 0.00 H new ATOM 0 HG2 GLN A 117 4.874 -0.812 7.708 1.00 0.00 H new ATOM 0 HG3 GLN A 117 5.434 0.776 7.223 1.00 0.00 H new ATOM 0 HE21 GLN A 117 6.671 -1.047 9.047 1.00 0.00 H new ATOM 0 HE22 GLN A 117 6.779 -0.259 10.625 1.00 0.00 H new ATOM 1923 N LYS A 118 5.245 3.233 6.327 1.00 0.00 N ATOM 1924 CA LYS A 118 6.486 3.985 6.405 1.00 0.00 C ATOM 1925 C LYS A 118 6.173 5.482 6.380 1.00 0.00 C ATOM 1926 O LYS A 118 6.319 6.168 7.390 1.00 0.00 O ATOM 1927 CB LYS A 118 7.452 3.540 5.306 1.00 0.00 C ATOM 1928 CG LYS A 118 8.781 4.292 5.406 1.00 0.00 C ATOM 1929 CD LYS A 118 9.564 4.199 4.095 1.00 0.00 C ATOM 1930 CE LYS A 118 10.300 2.861 3.989 1.00 0.00 C ATOM 1931 NZ LYS A 118 9.540 1.917 3.140 1.00 0.00 N ATOM 0 H LYS A 118 4.947 2.999 5.380 1.00 0.00 H new ATOM 0 HA LYS A 118 6.996 3.782 7.347 1.00 0.00 H new ATOM 0 HB2 LYS A 118 7.630 2.468 5.386 1.00 0.00 H new ATOM 0 HB3 LYS A 118 7.003 3.717 4.329 1.00 0.00 H new ATOM 0 HG2 LYS A 118 8.594 5.338 5.648 1.00 0.00 H new ATOM 0 HG3 LYS A 118 9.377 3.878 6.220 1.00 0.00 H new ATOM 0 HD2 LYS A 118 8.883 4.311 3.252 1.00 0.00 H new ATOM 0 HD3 LYS A 118 10.281 5.018 4.037 1.00 0.00 H new ATOM 0 HE2 LYS A 118 11.293 3.018 3.569 1.00 0.00 H new ATOM 0 HE3 LYS A 118 10.438 2.435 4.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 10.053 1.015 3.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 8.601 1.754 3.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 9.430 2.318 2.187 1.00 0.00 H new ATOM 1945 N MET A 119 5.747 5.946 5.214 1.00 0.00 N ATOM 1946 CA MET A 119 5.412 7.349 5.043 1.00 0.00 C ATOM 1947 C MET A 119 3.999 7.641 5.553 1.00 0.00 C ATOM 1948 O MET A 119 3.829 8.304 6.576 1.00 0.00 O ATOM 1949 CB MET A 119 5.507 7.720 3.562 1.00 0.00 C ATOM 1950 CG MET A 119 6.623 8.740 3.323 1.00 0.00 C ATOM 1951 SD MET A 119 8.083 7.915 2.711 1.00 0.00 S ATOM 1952 CE MET A 119 8.890 9.281 1.893 1.00 0.00 C ATOM 0 H MET A 119 5.626 5.374 4.378 1.00 0.00 H new ATOM 0 HA MET A 119 6.118 7.945 5.622 1.00 0.00 H new ATOM 0 HB2 MET A 119 5.695 6.824 2.970 1.00 0.00 H new ATOM 0 HB3 MET A 119 4.555 8.131 3.224 1.00 0.00 H new ATOM 0 HG2 MET A 119 6.293 9.492 2.606 1.00 0.00 H new ATOM 0 HG3 MET A 119 6.853 9.264 4.251 1.00 0.00 H new ATOM 0 HE1 MET A 119 8.807 9.159 0.813 1.00 0.00 H new ATOM 0 HE2 MET A 119 8.414 10.216 2.190 1.00 0.00 H new ATOM 0 HE3 MET A 119 9.942 9.304 2.176 1.00 0.00 H new ATOM 1962 N ILE A 120 3.022 7.132 4.818 1.00 0.00 N ATOM 1963 CA ILE A 120 1.630 7.330 5.183 1.00 0.00 C ATOM 1964 C ILE A 120 1.493 7.273 6.705 1.00 0.00 C ATOM 1965 O ILE A 120 0.650 7.958 7.283 1.00 0.00 O ATOM 1966 CB ILE A 120 0.735 6.331 4.447 1.00 0.00 C ATOM 1967 CG1 ILE A 120 0.430 6.810 3.026 1.00 0.00 C ATOM 1968 CG2 ILE A 120 -0.541 6.047 5.242 1.00 0.00 C ATOM 1969 CD1 ILE A 120 1.700 7.305 2.330 1.00 0.00 C ATOM 0 H ILE A 120 3.167 6.582 3.971 1.00 0.00 H new ATOM 0 HA ILE A 120 1.291 8.317 4.869 1.00 0.00 H new ATOM 0 HB ILE A 120 1.276 5.389 4.360 1.00 0.00 H new ATOM 0 HG12 ILE A 120 -0.011 5.996 2.451 1.00 0.00 H new ATOM 0 HG13 ILE A 120 -0.307 7.612 3.059 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -1.159 5.334 4.696 1.00 0.00 H new ATOM 0 HG22 ILE A 120 -0.279 5.630 6.214 1.00 0.00 H new ATOM 0 HG23 ILE A 120 -1.096 6.975 5.383 1.00 0.00 H new ATOM 0 HD11 ILE A 120 1.456 7.640 1.322 1.00 0.00 H new ATOM 0 HD12 ILE A 120 2.125 8.135 2.895 1.00 0.00 H new ATOM 0 HD13 ILE A 120 2.426 6.493 2.277 1.00 0.00 H new ATOM 1981 N HIS A 121 2.335 6.449 7.312 1.00 0.00 N ATOM 1982 CA HIS A 121 2.319 6.293 8.757 1.00 0.00 C ATOM 1983 C HIS A 121 2.819 7.580 9.418 1.00 0.00 C ATOM 1984 O HIS A 121 2.041 8.309 10.031 1.00 0.00 O ATOM 1985 CB HIS A 121 3.119 5.060 9.179 1.00 0.00 C ATOM 1986 CG HIS A 121 2.746 4.522 10.540 1.00 0.00 C ATOM 1987 ND1 HIS A 121 3.289 3.360 11.062 1.00 0.00 N ATOM 1988 CD2 HIS A 121 1.881 4.999 11.481 1.00 0.00 C ATOM 1989 CE1 HIS A 121 2.766 3.156 12.262 1.00 0.00 C ATOM 1990 NE2 HIS A 121 1.893 4.173 12.519 1.00 0.00 N ATOM 0 H HIS A 121 3.033 5.882 6.830 1.00 0.00 H new ATOM 0 HA HIS A 121 1.297 6.125 9.097 1.00 0.00 H new ATOM 0 HB2 HIS A 121 2.975 4.275 8.437 1.00 0.00 H new ATOM 0 HB3 HIS A 121 4.180 5.310 9.177 1.00 0.00 H new ATOM 0 HD1 HIS A 121 3.975 2.763 10.601 1.00 0.00 H new ATOM 0 HD2 HIS A 121 1.287 5.897 11.395 1.00 0.00 H new ATOM 0 HE1 HIS A 121 2.991 2.330 12.921 1.00 0.00 H new ATOM 1998 N GLN A 122 4.114 7.818 9.270 1.00 0.00 N ATOM 1999 CA GLN A 122 4.727 9.003 9.845 1.00 0.00 C ATOM 2000 C GLN A 122 3.869 10.237 9.556 1.00 0.00 C ATOM 2001 O GLN A 122 3.779 11.142 10.384 1.00 0.00 O ATOM 2002 CB GLN A 122 6.152 9.192 9.322 1.00 0.00 C ATOM 2003 CG GLN A 122 6.189 9.123 7.794 1.00 0.00 C ATOM 2004 CD GLN A 122 7.629 9.174 7.278 1.00 0.00 C ATOM 2005 OE1 GLN A 122 8.206 10.229 7.075 1.00 0.00 O ATOM 2006 NE2 GLN A 122 8.174 7.977 7.077 1.00 0.00 N ATOM 0 H GLN A 122 4.755 7.210 8.760 1.00 0.00 H new ATOM 0 HA GLN A 122 4.786 8.870 10.925 1.00 0.00 H new ATOM 0 HB2 GLN A 122 6.541 10.154 9.656 1.00 0.00 H new ATOM 0 HB3 GLN A 122 6.802 8.423 9.740 1.00 0.00 H new ATOM 0 HG2 GLN A 122 5.710 8.204 7.456 1.00 0.00 H new ATOM 0 HG3 GLN A 122 5.619 9.952 7.375 1.00 0.00 H new ATOM 0 HE21 GLN A 122 7.635 7.133 7.267 1.00 0.00 H new ATOM 0 HE22 GLN A 122 9.131 7.904 6.733 1.00 0.00 H new